data_2hc5_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 2hc5 _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 ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.56 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.48 HD12 HG12 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.502 HD13 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HA ' HD22 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.522 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.56 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG13 ' HG ' ' A' ' 58' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HG ' HG13 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 67' ' ' ASN . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' H ' ' HB3' ' A' ' 66' ' ' LEU . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HD3' HG23 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.673 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.596 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.596 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.269 0.557 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' CD2' HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.512 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.449 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 15' ' ' ARG . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' ILE . 2.3 mm . . . . . 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.545 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.413 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.551 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 HD13 HD13 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.578 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.5 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.436 HD22 HD23 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.755 ' NE2' ' HA ' ' A' ' 92' ' ' ASP . 22.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.684 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.51 HG12 HD11 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.755 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG13 ' HA2' ' A' ' 102' ' ' GLY . 24.0 m . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.456 0.646 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.532 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HG ' ' A' ' 54' ' ' SER . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.483 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.871 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.871 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.49 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 11' ' ' PRO . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.526 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.499 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.526 HG23 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.549 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.483 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.791 ' HE1' ' HG3' ' A' ' 97' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.685 HD11 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.56 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.56 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.791 ' HG3' ' HE1' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.464 HG22 ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.573 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 24.1 tp60 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.186 0.517 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' O ' HG21 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.587 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 HD12 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.608 HD12 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HE3' HG22 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HB2' HD12 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.522 ' HA2' HG11 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.426 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.522 HG11 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.483 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.54 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 7.9 tp-100 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 83' ' ' ARG . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 20' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.2 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.563 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.594 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.586 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.483 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 78' ' ' THR . 9.3 m120 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.491 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.601 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.424 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 105' ' ' VAL . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.545 HG12 ' HA2' ' A' ' 102' ' ' GLY . 5.2 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.533 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.644 ' CZ ' HD12 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.644 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.969 0.414 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.559 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.563 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD13 ' HE3' ' A' ' 47' ' ' MET . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.56 HG23 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.853 HG12 HG23 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.422 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.9 OUTLIER 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.853 HG23 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.509 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.434 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 101' ' ' LEU . 16.9 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.104 0.478 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.817 ' HB3' ' HG ' ' A' ' 54' ' ' SER . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.491 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm . . . . . 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.638 0.733 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.515 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.8 OUTLIER -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' O ' HG21 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 39' ' ' ASN . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.593 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 10.3 m120 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.817 ' HG ' ' HB3' ' A' ' 6' ' ' LEU . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.434 ' HB2' HG11 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 82' ' ' ILE . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.445 HG21 ' HA2' ' A' ' 102' ' ' GLY . 29.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 87.8 t . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.837 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.562 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.429 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.547 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.639 HG11 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD13 HD12 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.456 HG13 HD12 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HB2' HD12 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.518 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.518 HG21 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.492 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.516 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.454 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.601 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.624 HD23 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 58' ' ' LEU . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 52' ' ' GLU . 32.4 m-70 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.564 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.492 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.477 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.786 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.534 ' HA ' HG12 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.559 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 HD13 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.563 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' HE2' ' A' ' 47' ' ' MET . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD12 HD22 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.525 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.453 ' HD2' HD13 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.63 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 15' ' ' ARG . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.443 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HE1' ' A' ' 97' ' ' MET . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.533 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.541 HG12 HG21 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.526 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.415 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 79' ' ' ASN . 5.9 m120 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.462 ' HE1' HD13 ' A' ' 51' ' ' LEU . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 HG12 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 12.3 mm100 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.592 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 43' ' ' MET . 0.3 OUTLIER -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' HG2' HD11 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.537 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.537 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' HA2' HG11 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.45 HG11 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.712 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.712 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.495 ' HG ' HG12 ' A' ' 3' ' ' ILE . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.516 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.629 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 50' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.565 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.565 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 HG12 ' HG ' ' A' ' 54' ' ' SER . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.532 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.536 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.532 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD13 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.511 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.545 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HG ' HG12 ' A' ' 3' ' ' ILE . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.519 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.653 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 m120 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HD2' HD13 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.534 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.407 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.495 ' HB3' HG12 ' A' ' 3' ' ' ILE . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.712 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.45 ' HE1' HD13 ' A' ' 51' ' ' LEU . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.469 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.532 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.532 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.61 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.61 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.53 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.474 HD13 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.967 0.889 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HE1' ' HE1' ' A' ' 90' ' ' TRP . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.614 ' HE3' ' SD ' ' A' ' 97' ' ' MET . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.53 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HB2' HD23 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.791 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.576 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.798 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.798 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HB2' HD11 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD3' HD13 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.405 ' HE1' ' HE1' ' A' ' 43' ' ' MET . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.614 ' SD ' ' HE3' ' A' ' 47' ' ' MET . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.419 HG21 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.893 0.377 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.406 HG21 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD21 ' HG ' ' A' ' 54' ' ' SER . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG23 ' HE3' ' A' ' 43' ' ' MET . 92.5 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.665 0.745 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.573 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.573 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.538 ' HG3' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.546 ' HG ' HD21 ' A' ' 6' ' ' LEU . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 7' ' ' THR . 3.9 tp-100 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' HB2' HG11 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.404 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.495 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.589 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.538 ' SD ' ' HG3' ' A' ' 47' ' ' MET . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' CG1' ' HA2' ' A' ' 102' ' ' GLY . 17.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 104' ' ' PHE . 95.8 mt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.3 122.39 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.56 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD12 HG12 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 HD13 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm -54.59 -33.84 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -89.44 -31.73 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.68 70.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.32 0.581 . . . . 0.0 109.642 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.05 142.5 50.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.095 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -118.45 178.43 4.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.046 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -129.78 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -163.6 142.56 8.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.111 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.77 124.29 49.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 110.012 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -125.14 33.05 5.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.423 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 64.51 41.31 5.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.283 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 p -77.49 136.86 63.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.469 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.9 101.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.583 2.188 . . . . 0.0 112.884 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 30' ' ' VAL . 57.5 t -111.7 113.35 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.631 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.92 155.01 41.95 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.029 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.95 111.34 13.71 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t -74.96 93.63 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HA ' HD22 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.522 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.506 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.56 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG13 ' HG ' ' A' ' 58' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HG ' HG13 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 67' ' ' ASN . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' H ' ' HB3' ' A' ' 66' ' ' LEU . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HD3' HG23 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.673 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.596 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.571 ' HA ' ' HB2' ' A' ' 1' ' ' LEU . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.596 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m -71.17 157.1 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 108' ' ' LYS . 27.8 t70 -69.01 104.08 2.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.893 176.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 110' ' ' LEU . 31.4 tt0 -60.44 50.42 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.499 -1.682 . . . . 0.0 112.648 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 106' ' ' ASP . 54.5 mttm -150.1 -43.74 0.13 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -74.54 -8.25 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.898 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.749 HD13 ' N ' ' A' ' 111' ' ' GLU . 2.3 pp -64.37 -39.25 93.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.337 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.749 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 27.79 44.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.012 1.325 . . . . 0.0 114.179 -179.215 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.08 81.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.127 0.965 . . . . 0.0 109.546 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -90.64 99.77 12.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.824 -170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -94.57 95.21 8.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.139 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -80.12 88.84 5.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.448 -171.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -152.66 81.19 1.23 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.977 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.668 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 65.95 95.72 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.641 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' CD2' HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.512 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.53 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' ILE . 2.3 mm -56.02 -22.4 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 42.2 m-70 -71.42 -33.22 69.24 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 109.95 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -82.17 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.785 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.53 1.22 2.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.27 101.8 4.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.999 0.428 . . . . 0.0 111.703 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -149.35 128.73 12.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -141.43 103.58 4.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.708 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.713 ' HB3' HG11 ' A' ' 30' ' ' VAL . 12.3 t70 -107.14 153.26 22.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -68.04 -15.32 63.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.719 0.295 . . . . 0.0 111.368 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.78 5.57 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG11 ' HB3' ' A' ' 27' ' ' ASP . 5.4 p -150.04 109.57 3.26 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-O 122.016 0.913 . . . . 0.0 111.692 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.92 89.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.85 2.366 . . . . 0.0 112.269 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 t -86.05 58.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.455 0.645 . . . . 0.0 109.797 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.68 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.868 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 65.17 32.7 9.94 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 110.631 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t -79.56 95.89 2.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.978 -176.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.545 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 HG11 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.413 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.551 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 HD13 HD13 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.578 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.5 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m -69.24 142.86 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -91.25 76.81 5.98 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.306 -174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.5 ' O ' HD21 ' A' ' 110' ' ' LEU . 12.4 tp10 63.56 -75.04 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.704 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.76 -32.92 67.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . 74.3 mmtt -85.83 16.22 4.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 107' ' ' GLU . 1.3 pt? -72.24 -24.92 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.766 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' H ' HD23 ' A' ' 110' ' ' LEU . 27.8 tt0 68.11 -50.32 0.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.347 1.059 . . . . 0.0 112.167 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -75.99 163.31 27.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.309 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.56 105.34 11.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.605 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 7.1 t-160 -72.83 108.15 5.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -71.98 -48.53 44.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.592 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -126.88 119.48 26.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.934 176.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 51.37 89.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.779 0.674 . . . . 0.0 112.127 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD22 HD23 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.683 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.755 ' NE2' ' HA ' ' A' ' 92' ' ' ASP . 22.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.8 -24.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.683 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 19.4 m-70 -98.32 1.61 47.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.143 0.497 . . . . 0.0 110.582 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -103.49 -67.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.644 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 55.35 36.63 27.48 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.417 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -86.65 34.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.948 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.95 -82.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -128.35 149.18 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 -171.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -120.95 -87.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.755 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -148.2 -75.62 0.18 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.417 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -87.37 -19.89 27.5 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.267 0.556 . . . . 0.0 111.631 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.47 124.25 82.05 Favored Pre-proline 0 C--N 1.311 -1.103 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.218 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' HG2' ' HE2' ' A' ' 94' ' ' TYR . 63.2 Cg_endo -80.1 94.94 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.611 2.207 . . . . 0.0 112.201 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -100.95 110.6 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.463 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -146.96 163.31 36.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.451 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.63 121.72 17.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.136 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.94 124.52 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.684 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.51 HG12 HD11 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.755 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.434 ' HE2' ' HG2' ' A' ' 31' ' ' PRO . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' HB ' HD23 ' A' ' 110' ' ' LEU . 24.0 m -80.34 137.0 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.57 117.81 33.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.524 -1.671 . . . . 0.0 107.631 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mp0 -20.76 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.297 -1.774 . . . . 0.0 114.478 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -79.95 -6.34 57.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.41 8.11 27.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.15 0.5 . . . . 0.0 110.101 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.467 HD23 ' HB ' ' A' ' 105' ' ' VAL . 70.2 mt -71.74 -69.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.536 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.32 30.58 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.267 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.406 ' HD2' ' O ' ' A' ' 110' ' ' LEU . 23.4 m-70 -102.63 140.47 36.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -55.84 122.33 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.506 -169.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 63.6 t60 66.68 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.607 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 177.9 90.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -104.36 35.19 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.0 110.279 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.33 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 mm? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 62.25 115.81 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.795 0.838 . . . . 0.0 111.897 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.532 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HG ' ' A' ' 54' ' ' SER . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.68 -40.69 85.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -10.26 38.04 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.75 -18.25 41.38 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 56.3 37.7 29.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.473 0.654 . . . . 0.0 110.614 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -127.56 122.93 34.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.197 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.05 138.03 39.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -143.32 134.29 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.422 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -135.44 8.5 3.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.122 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.18 -47.18 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.912 -172.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -132.55 86.54 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.367 0.603 . . . . 0.0 109.902 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 32' ' ' VAL . 7.1 p -150.69 144.58 17.44 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.156 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 55.4 Cg_endo -74.47 22.19 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.287 1.991 . . . . 0.0 112.616 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 30' ' ' VAL . 43.4 t 45.21 -92.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 113.465 -1.698 . . . . 0.0 113.556 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 1.6 m-70 65.12 89.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.934 0.771 . . . . 0.0 109.79 -169.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -58.93 107.35 0.52 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.33 139.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.17 -172.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.532 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.871 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.871 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.49 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 11' ' ' PRO . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.526 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.499 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.526 HG23 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m -107.54 168.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -114.16 82.71 1.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.657 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.691 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 5.0 tp10 53.67 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 164.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -72.47 -10.44 59.79 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.528 -0.732 . . . . 0.0 111.055 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -83.75 5.54 24.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.55 0.69 . . . . 0.0 109.217 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.691 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 24.6 mt -100.09 -2.44 34.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.516 174.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 62.07 -6.53 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.02 49.61 1.67 Allowed 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.109 -0.994 . . . . 0.0 111.492 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 61.0 -102.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.785 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -137.81 -43.36 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -154.57 161.7 41.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.941 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -122.3 169.28 11.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.734 0.302 . . . . 0.0 110.197 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -118.73 118.62 32.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.549 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.746 HE22 ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt -54.04 -21.63 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.41 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.7 m-70 -79.19 -10.19 59.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.973 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -125.8 -76.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.936 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.746 ' HA ' HE22 ' A' ' 19' ' ' GLN . 39.6 mt-30 59.02 33.12 22.82 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.663 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -119.98 118.89 31.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.801 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 30' ' ' VAL . 3.9 p-10 -82.13 -31.69 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 64.58 74.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.818 172.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 71.82 -24.28 0.18 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 161.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.48 5.99 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -167.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.17 70.73 0.63 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.619 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 30.4 m -104.63 171.32 5.11 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.619 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 13.3 Cg_endo -58.75 100.91 0.12 Allowed 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 121.869 1.713 . . . . 0.0 111.415 171.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.6 p -156.43 154.1 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.933 -174.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 16.8 m-70 76.55 -68.95 0.17 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.155 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.18 85.68 5.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.365 0.602 . . . . 0.0 111.625 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.71 113.68 39.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.862 173.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.483 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.791 ' HE1' ' HG3' ' A' ' 97' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.685 HD11 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.56 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.56 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.791 ' HG3' ' HE1' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.663 ' HB ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.42 99.21 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.514 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 30.6 t70 -75.96 83.01 2.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.901 -171.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 10.9 tp10 50.46 -85.49 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -65.78 -20.37 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.6 -0.687 . . . . 0.0 110.308 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -85.12 -3.87 58.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.025 178.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.663 HD22 ' HB ' ' A' ' 105' ' ' VAL . 37.4 mt -68.97 -41.41 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.96 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 71.47 -3.7 2.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.599 -173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -78.25 136.96 37.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -55.52 -63.27 1.22 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 111.564 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -139.85 95.07 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -112.68 83.49 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -163.15 84.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.472 171.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.138 -177.671 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 103' ' ' LEU . 8.1 mp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.723 0.296 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.78 111.85 8.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.573 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 24.1 tp60 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -46.71 -28.78 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -78.51 -41.29 32.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.68 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -135.96 101.16 4.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.457 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -87.05 1.57 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.336 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -80.86 133.03 35.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.652 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -157.74 -47.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.864 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -106.53 138.53 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -90.63 -37.25 13.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.858 0.361 . . . . 0.0 110.974 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -68.24 -52.17 37.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -174.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -145.14 97.97 3.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.166 0.508 . . . . 0.0 110.862 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.67 157.48 27.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.331 167.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.34 97.63 0.1 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.501 2.134 . . . . 0.0 112.704 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' H ' ' A' ' 34' ' ' GLN . 67.2 t -89.29 -62.97 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.67 -11.91 0.8 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.159 173.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' H ' HG13 ' A' ' 32' ' ' VAL . 76.7 mt-30 59.99 75.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.237 0.541 . . . . 0.0 109.635 -174.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.91 119.35 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.437 -173.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' O ' HG21 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.587 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 HD12 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.608 HD12 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HE3' HG22 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG12 HG21 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HB2' HD12 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.522 ' HA2' HG11 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' A' ' 1' ' ' LEU . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.426 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.522 HG11 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p -82.96 161.99 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -149.11 13.21 0.87 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.986 0.898 . . . . 0.0 109.975 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 105' ' ' VAL . 7.6 tp10 -76.9 -54.08 7.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.834 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.33 -22.24 62.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.04 0.448 . . . . 0.0 111.465 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.95 12.98 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.512 ' HG ' ' H ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -77.14 -38.82 51.16 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.377 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.469 ' H ' HD21 ' A' ' 110' ' ' LEU . 11.3 pt-20 32.94 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.156 1.382 . . . . 0.0 113.922 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' H ' ' HG ' ' A' ' 110' ' ' LEU . 2.3 m-70 -132.77 143.56 49.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.203 -0.31 . . . . 0.0 111.354 -177.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 29.7 t60 65.98 18.55 11.08 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.969 0.793 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -149.73 120.95 7.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -73.02 93.67 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -75.13 -24.89 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.022 -173.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 64.86 95.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.483 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.54 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 7.9 tp-100 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 83' ' ' ARG . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -62.92 -18.93 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -79.3 -2.97 43.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.238 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.52 -41.49 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 41.2 mt-30 64.66 -170.05 0.19 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttm 72.8 63.02 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.922 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.36 60.59 2.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.653 170.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -75.76 90.46 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.35 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.01 143.65 26.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.888 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -95.94 -79.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.681 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 116' ' ' HIS . 38.3 mt-10 -146.78 24.24 1.21 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -98.65 136.72 20.66 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-O 120.948 0.404 . . . . 0.0 111.613 -173.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.0 85.06 1.82 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.401 2.068 . . . . 0.0 112.189 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.6 p -157.6 136.25 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.963 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -156.47 -36.13 0.08 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.893 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.65 122.3 47.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t -113.1 132.91 60.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.2 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.563 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.594 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.586 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.483 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 78' ' ' THR . 9.3 m120 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.491 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.601 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.424 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.681 ' HA ' ' HE1' ' A' ' 116' ' ' HIS . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 105' ' ' VAL . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.579 HG23 HD23 ' A' ' 110' ' ' LEU . 5.2 m -66.58 166.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.74 9.96 24.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.49 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.687 ' HA ' HD22 ' A' ' 110' ' ' LEU . 7.9 tp10 72.26 159.51 0.21 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 84.4 mttt 69.73 -32.1 0.22 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.227 0.611 . . . . 0.0 112.451 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 107' ' ' GLU . 5.6 mptt -104.06 31.7 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.289 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -126.37 -36.07 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.318 -175.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 51.19 34.9 12.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.223 0.535 . . . . 0.0 110.926 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' CD2' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.44 106.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.748 -176.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -84.21 -17.01 41.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.537 0.684 . . . . 0.0 109.28 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -155.52 143.29 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.265 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -91.76 102.52 15.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.285 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.681 ' HE1' ' HA ' ' A' ' 99' ' ' GLU . 33.0 p80 -99.9 176.32 5.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 168.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -131.31 122.14 25.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 -173.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.533 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.644 ' CZ ' HD12 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.644 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt -50.88 -34.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -91.3 -5.31 54.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.182 -174.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -90.43 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.127 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 57.1 94.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.696 . . . . 0.0 112.259 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -121.8 144.47 48.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.882 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -85.04 19.49 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -124.35 129.61 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.0 110.222 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.58 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.022 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -82.33 -65.53 1.0 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.639 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.93 26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.944 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.34 128.5 25.95 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.345 0.593 . . . . 0.0 110.95 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.1 71.83 6.83 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.408 2.072 . . . . 0.0 112.791 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' HG ' ' A' ' 91' ' ' LEU . 13.9 p -147.07 118.88 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.081 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 p80 178.3 146.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.779 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 55.25 46.26 24.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.498 0.666 . . . . 0.0 110.274 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m -85.12 -178.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.559 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.563 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD13 ' HE3' ' A' ' 47' ' ' MET . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG23 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.853 HG12 HG23 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.422 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.9 OUTLIER 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.853 HG23 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.509 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.434 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 32' ' ' VAL . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.805 HG22 HD23 ' A' ' 110' ' ' LEU . 16.9 m -60.23 135.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.425 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 29.8 t70 -94.28 84.79 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.393 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 29.6 tt0 25.7 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.107 1.763 . . . . 0.0 115.712 172.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.62 -10.54 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -175.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.7 mptt -88.11 -4.37 58.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.448 . . . . 0.0 110.031 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.805 HD23 HG22 ' A' ' 105' ' ' VAL . 36.8 mt -80.97 -48.85 11.71 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.332 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.93 16.53 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.234 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -71.51 112.71 7.86 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.8 83.08 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 0.0 111.868 -168.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.33 -55.39 0.08 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 171.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 52.77 86.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.114 0.883 . . . . 0.0 112.216 166.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -154.95 110.36 3.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 111.0 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.822 176.607 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 1' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.269 0.557 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -98.49 129.17 45.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.514 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.817 ' HB3' ' HG ' ' A' ' 54' ' ' SER . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.491 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm -53.45 -18.04 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.1 m-70 -58.0 -33.73 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.558 174.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -101.92 122.39 43.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -135.92 23.89 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HZ3' ' HB3' ' A' ' 24' ' ' LYS . 1.5 ttpm? -92.79 4.32 54.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.39 157.07 17.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -163.14 -67.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.119 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -108.31 83.17 1.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 0.0 109.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -138.19 -167.86 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.961 -174.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.89 28.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.171 0.51 . . . . 0.0 111.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.65 135.05 41.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.199 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 30.3 Cg_exo -61.54 112.47 1.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.674 2.25 . . . . 0.0 111.794 176.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 31' ' ' PRO . 73.5 t 74.05 121.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 O-C-N 123.931 0.769 . . . . 0.0 111.24 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' GLN . 6.5 p80 -150.76 170.56 18.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.13 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 49.3 mt-30 70.47 -70.35 0.15 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.048 0.843 . . . . 0.0 110.356 -170.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t 71.43 131.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.229 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.515 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.8 OUTLIER -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' O ' HG21 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 39' ' ' ASN . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.593 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 10.3 m120 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HA ' ' HE3' ' A' ' 109' ' ' LYS . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.817 ' HG ' ' HB3' ' A' ' 6' ' ' LEU . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' HB2' HG11 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 82' ' ' ILE . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.437 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.617 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.682 HG11 ' HD3' ' A' ' 109' ' ' LYS . 29.9 m -60.74 121.23 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -97.67 85.39 3.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.853 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 32.8 tt0 66.35 -70.97 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.966 0.791 . . . . 0.0 112.896 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -74.86 -14.08 60.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.152 0.501 . . . . 0.0 110.277 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.682 ' HD3' HG11 ' A' ' 105' ' ' VAL . 32.5 tttp -93.53 5.62 50.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 15.4 mt -84.28 -81.25 0.18 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.662 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 69.3 -11.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.209 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.31 126.0 25.83 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.546 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -83.97 174.18 10.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.021 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.5 m80 66.33 -177.24 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.199 0.523 . . . . 0.0 110.238 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -115.48 43.64 2.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.262 0.553 . . . . 0.0 109.575 173.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -92.11 85.56 5.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.421 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.067 178.311 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 60.07 108.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -58.64 -28.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -1.99 40.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -153.19 111.62 3.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.507 ' HG3' HH12 ' A' ' 89' ' ' ARG . 1.7 mp0 -83.46 48.09 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -122.25 110.13 15.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -173.36 82.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.86 169.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -106.27 101.31 10.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.145 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.69 132.69 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 62.41 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.946 0.779 . . . . 0.0 111.637 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -81.92 64.86 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.669 0.747 . . . . 0.0 111.232 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 32' ' ' VAL . 19.1 m -76.06 148.85 81.92 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.038 172.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.79 89.09 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.526 2.151 . . . . 0.0 113.062 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 30' ' ' VAL . 14.9 p -171.27 134.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.561 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -145.23 -63.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.417 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.51 24.07 5.5 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 87.8 t 61.53 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.588 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.837 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.562 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.429 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 112' ' ' HIS . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.547 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.639 HG11 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD13 HD12 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.456 HG13 HD12 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.625 HG12 HG21 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HB2' HD12 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.518 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.518 HG21 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m -102.43 160.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 108' ' ' LYS . 28.0 t70 -148.23 82.06 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.151 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 39.08 -76.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.47 1.508 . . . . 0.0 113.949 169.248 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.527 ' HD2' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -52.22 -39.86 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.908 -178.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -91.1 10.53 26.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.445 -175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.447 ' CD2' ' HB ' ' A' ' 105' ' ' VAL . 73.7 mt -76.1 -33.74 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 111.016 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.94 13.7 8.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.52 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 40.4 m170 -93.83 -72.29 0.62 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.514 ' HB3' ' OE1' ' A' ' 107' ' ' GLU . 21.8 t-160 -93.18 -62.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.522 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.8 t60 61.32 76.73 0.36 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.461 0.648 . . . . 0.0 110.482 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 116' ' ' HIS . 71.8 t60 -139.56 -67.16 0.45 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.421 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 49.3 t-80 164.54 17.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -171.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 CA--C 1.528 0.099 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.122 -165.645 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 94.5 mt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.779 0.323 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -148.04 131.54 16.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.492 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.516 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -21.57 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.82 -25.89 67.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.805 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.17 84.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.672 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -97.59 109.31 22.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.414 0.626 . . . . 0.0 110.458 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -94.94 153.32 17.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.743 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.77 11.72 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.463 0.649 . . . . 0.0 110.405 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -154.38 169.07 24.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.799 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -71.02 167.28 19.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -101.25 -47.67 4.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.59 25.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.16 142.01 29.39 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.4 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.12 38.91 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.033 2.488 . . . . 0.0 112.554 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.61 123.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.421 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.799 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 11.2 p80 -166.01 38.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.314 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -138.82 136.88 36.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.715 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t -140.75 154.75 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.454 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.601 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.624 HD23 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 58' ' ' LEU . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 52' ' ' GLU . 32.4 m-70 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.564 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.492 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.753 ' HB ' HD21 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -126.16 104.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' LYS . 21.4 t70 -93.83 82.73 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.56 -177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 53.94 -76.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' ASP . 75.3 mmtt -64.75 -20.72 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.115 0.483 . . . . 0.0 110.511 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -98.4 12.06 36.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.634 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.753 HD21 ' HB ' ' A' ' 105' ' ' VAL . 39.1 mt -73.19 -27.78 61.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 29.0 mm-40 71.63 -29.76 0.2 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.659 0.599 . . . . 0.0 112.116 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.0 m170 -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -50.83 121.64 6.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.315 0.579 . . . . 0.0 111.866 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -129.37 133.5 47.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.495 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -101.27 139.9 36.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.809 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.2 t60 70.39 -67.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.423 0.689 . . . . 0.0 110.883 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.494 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.688 0.28 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.13 110.54 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.786 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.534 ' HA ' HG12 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.559 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 HD13 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm -56.7 -24.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -98.63 9.16 43.9 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.385 -174.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -116.33 -83.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 56.49 26.81 11.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.851 0.46 . . . . 0.0 112.226 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -85.91 -165.66 1.31 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.63 -62.3 1.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.518 0.511 . . . . 0.0 110.617 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -101.91 122.79 44.7 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.759 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.59 -165.78 1.68 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 30' ' ' VAL . 61.6 t30 -77.03 164.66 25.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -76.67 41.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.212 0.529 . . . . 0.0 111.568 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 92' ' ' ASP . 3.4 p -68.67 128.58 92.91 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.208 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.95 89.53 1.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.306 2.004 . . . . 0.0 112.403 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.635 ' HA ' HD13 ' A' ' 91' ' ' LEU . 43.9 t -95.96 102.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.655 0.74 . . . . 0.0 110.253 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' H ' HD13 ' A' ' 91' ' ' LEU . 11.6 p80 -153.19 152.4 31.19 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.769 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.67 108.21 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.986 0.422 . . . . 0.0 111.74 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m -89.67 122.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.563 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD12 ' HE2' ' A' ' 47' ' ' MET . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD12 HD22 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.525 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.453 ' HD2' HD13 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 32' ' ' VAL . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HA ' HG22 ' A' ' 30' ' ' VAL . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m -106.82 119.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.0 t70 70.71 -2.55 2.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.16 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.694 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 7.2 tt0 69.51 -43.64 0.53 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.119 0.968 . . . . 0.0 112.284 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -58.82 -29.49 66.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.298 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.77 2.13 39.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 111.465 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.694 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -79.77 -10.96 59.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.315 0.578 . . . . 0.0 109.602 174.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 71.12 -12.96 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.34 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 110' ' ' LEU . 58.4 m170 62.92 24.17 14.4 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.389 0.614 . . . . 0.0 110.394 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 20.7 t-80 -90.41 -7.8 52.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.974 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 44.4 m-70 69.82 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.602 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.4 m80 63.11 -176.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.364 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -143.77 177.21 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.346 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.695 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -110.25 122.99 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.63 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.512 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -75.91 -43.17 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.512 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -85.37 -5.83 59.27 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.114 0.483 . . . . 0.0 111.09 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -153.15 92.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.85 78.5 7.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.263 0.554 . . . . 0.0 110.875 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -76.42 84.42 3.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.315 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.28 146.67 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.247 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -108.55 111.16 22.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' ASN . 21.7 t70 -124.5 176.68 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 9.0 t30 75.43 120.74 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.376 0.67 . . . . 0.0 111.307 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.09 24.08 14.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.481 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 2.7 p -144.79 116.49 5.31 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 121.446 0.641 . . . . 0.0 110.037 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 20.6 Cg_exo -63.4 108.59 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.004 2.469 . . . . 0.0 111.442 177.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -85.75 106.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.324 1.059 . . . . 0.0 110.239 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.506 ' HB3' ' OD1' ' A' ' 39' ' ' ASN . 29.1 m-70 -80.2 125.08 29.39 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.202 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.22 20.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.931 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t 64.14 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.443 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HE1' ' A' ' 97' ' ' MET . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.534 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.533 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.541 HG12 HG21 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.526 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 79' ' ' ASN . 5.9 m120 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.462 ' HE1' HD13 ' A' ' 51' ' ' LEU . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m -67.13 154.09 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.414 ' HB3' ' HG2' ' A' ' 109' ' ' LYS . 37.2 t70 -93.67 9.63 36.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.364 -178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.959 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.9 tt0 71.3 -58.2 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.643 0.777 . . . . 0.0 110.98 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.52 -15.53 62.76 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.109 0.48 . . . . 0.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' HG2' ' HB3' ' A' ' 106' ' ' ASP . 72.7 mmtt -96.92 -3.07 42.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.712 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.3 pp -88.2 6.23 37.74 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.933 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 76.91 1.92 3.25 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 110.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 m170 69.58 -165.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.456 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -149.06 153.83 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.331 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.04 136.95 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -162.59 146.69 11.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -69.42 98.29 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.32 -0.708 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.125 0.488 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -97.94 124.38 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.687 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 HG12 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 12.3 mm100 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.592 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm -51.75 -48.41 38.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -74.51 -5.82 44.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -174.207 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 3.4 t-20 -111.78 -15.09 13.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.65 -175.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.88 77.92 0.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.594 0.712 . . . . 0.0 109.217 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 12.7 mmtp -99.21 150.28 22.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.47 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -141.24 101.08 3.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.909 170.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -79.64 131.04 35.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.382 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -83.75 93.05 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -73.83 157.06 37.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.882 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.8 7.76 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.787 0.803 . . . . 0.0 110.444 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG22 ' HD2' ' A' ' 31' ' ' PRO . 3.7 p -120.45 135.78 24.8 Favored Pre-proline 0 C--N 1.312 -1.045 0 CA-C-N 114.249 -1.342 . . . . 0.0 107.624 171.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' HG22 ' A' ' 30' ' ' VAL . 32.7 Cg_endo -65.39 81.33 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.6 2.2 . . . . 0.0 113.368 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.23 108.85 22.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.564 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -144.02 15.4 1.72 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.785 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -160.38 149.59 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.738 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -111.62 121.04 63.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 43' ' ' MET . 0.3 OUTLIER -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' HG2' HD11 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.537 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.537 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' HA2' HG11 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.45 HG11 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m 50.94 135.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.14 98.11 4.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.66 166.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.785 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.8 tt0 -4.77 -57.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.46 1.904 . . . . 0.0 115.91 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.12 -18.64 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -103.75 9.96 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.9 pp -85.7 6.06 29.35 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.55 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 78.83 -43.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.932 0.893 . . . . 0.0 111.766 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.499 ' H ' HD11 ' A' ' 110' ' ' LEU . 50.3 m-70 66.77 96.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.778 0.431 . . . . 0.0 110.722 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -89.37 -26.64 20.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.318 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -144.95 102.7 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.388 0.613 . . . . 0.0 112.123 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -104.21 -12.6 16.59 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -128.11 145.83 50.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.62 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.9 m80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.347 178.34 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -133.06 133.47 43.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.759 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.32 -47.14 93.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.759 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -80.9 -23.05 39.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.506 -175.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 22' ' ' ASN . 8.7 m120 -115.56 77.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.455 0.645 . . . . 0.0 109.791 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -83.92 88.5 7.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.235 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -84.84 4.31 33.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.492 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 t70 64.29 91.43 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.756 0.66 . . . . 0.0 111.003 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -99.82 114.89 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.846 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -150.03 141.14 23.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.351 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -129.97 33.73 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.425 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.35 39.38 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.593 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.0 t -97.01 137.82 21.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.627 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 8.2 Cg_exo -72.36 50.87 1.67 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.448 2.766 . . . . 0.0 113.084 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.41 HG22 HG21 ' A' ' 35' ' ' VAL . 10.2 p -152.68 115.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.832 0.825 . . . . 0.0 110.901 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.602 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.6 p80 -159.48 -30.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.3 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -112.88 -22.13 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 109.251 170.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.712 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t 72.03 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.557 173.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.712 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.495 ' HG ' HG12 ' A' ' 3' ' ' ILE . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.516 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.629 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 33' ' ' HIS . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 50' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.565 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.565 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -59.56 132.68 24.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -91.55 85.15 5.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.307 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 43.4 tt0 59.25 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 165.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -68.62 -23.17 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.6 mttt -85.3 1.52 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.831 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 95.0 mt -86.52 -16.41 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.636 174.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 56.95 25.75 10.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.243 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 110' ' ' LEU . 9.8 m-70 -85.64 -176.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.287 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.589 ' O ' ' HB3' ' A' ' 114' ' ' HIS . 9.8 t60 -66.04 -54.83 20.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.589 ' HB3' ' O ' ' A' ' 113' ' ' HIS . 0.3 OUTLIER 162.49 173.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.06 0.944 . . . . 0.0 109.042 173.491 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -126.54 -50.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.558 0.218 . . . . 0.0 111.044 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -135.61 -9.59 2.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.399 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.143 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -130.58 139.4 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 HG12 ' HG ' ' A' ' 54' ' ' SER . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.536 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.532 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD13 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm -62.03 -19.18 21.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -75.06 -14.66 60.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.002 0.43 . . . . 0.0 110.318 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -97.41 -79.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.906 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 55.57 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.725 0.64 . . . . 0.0 112.095 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.772 ' HG2' ' H ' ' A' ' 25' ' ' ASP . 82.1 tttt -135.51 -176.78 4.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.798 -177.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.772 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 20.6 m-20 72.62 97.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.035 0.921 . . . . 0.0 112.262 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' C ' HD21 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -135.7 20.8 3.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.709 173.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.77 -167.9 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.795 -172.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.85 -40.04 9.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.66 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -88.75 35.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.756 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 32' ' ' VAL . 4.1 p -143.29 133.29 11.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.35 78.71 1.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.53 2.154 . . . . 0.0 112.128 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG13 HG11 ' A' ' 30' ' ' VAL . 10.1 p -164.16 148.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.832 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 10.9 m-70 76.35 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.872 0.732 . . . . 0.0 112.033 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 32' ' ' VAL . 77.5 mt-30 -75.45 72.11 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.332 177.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m -123.31 -173.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.511 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.545 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HG ' HG12 ' A' ' 3' ' ' ILE . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.519 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.653 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 m120 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HD2' HD13 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 32' ' ' VAL . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m -77.08 155.01 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -88.99 84.77 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.401 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 10.2 tt0 33.26 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.08 1.352 . . . . 0.0 114.124 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -47.32 -41.38 19.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.32 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -87.83 25.55 1.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.296 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.2 pt? -78.77 -17.87 55.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.89 -55.23 0.65 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.433 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -83.65 159.5 21.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -80.97 64.4 5.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -87.91 -67.08 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.002 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.81 126.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.403 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -91.68 93.79 9.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.554 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.5 t60 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.99 179.024 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.514 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 88.6 mt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.887 0.375 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.61 138.56 44.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 175.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.534 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.67 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm -58.2 -25.07 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.67 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -99.84 17.45 20.76 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.84 0.353 . . . . 0.0 111.844 177.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.449 HD22 ' HB3' ' A' ' 25' ' ' ASP . 60.2 t30 -143.03 102.83 4.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -90.54 124.5 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -172.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 73.71 -0.31 3.4 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.879 166.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' HB3' HD22 ' A' ' 22' ' ' ASN . 29.9 t70 -94.1 84.97 4.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t30 177.23 138.76 0.07 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 -173.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -98.4 55.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.817 0.818 . . . . 0.0 109.668 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -178.51 176.1 1.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 56.58 72.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 111.372 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 16.0 m -120.54 166.27 15.95 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.157 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 15.4 Cg_endo -58.0 107.66 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.33 2.02 . . . . 0.0 111.856 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.3 p -145.99 158.59 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 79.88 -33.5 0.13 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.07 0.856 . . . . 0.0 110.965 178.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' A' ' 32' ' ' VAL . 10.0 mm100 68.19 157.07 0.13 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.033 0.833 . . . . 0.0 109.35 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -127.88 105.88 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.619 -0.676 . . . . 0.0 109.225 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.407 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.495 ' HB3' HG12 ' A' ' 3' ' ' ILE . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.712 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.45 ' HE1' HD13 ' A' ' 51' ' ' LEU . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 1' ' ' LEU . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.47 100.21 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.65 14.45 12.65 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.07 0.938 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 36.1 tt0 -69.64 -66.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.419 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -86.05 -0.93 56.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -94.36 10.69 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.911 170.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.4 pt? -67.59 -21.0 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.532 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 69.8 -50.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.018 0.927 . . . . 0.0 111.948 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -80.16 89.58 5.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.472 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -167.7 77.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 50.93 90.78 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.006 0.816 . . . . 0.0 111.872 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -86.51 124.79 33.21 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.494 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -103.2 77.71 1.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 167.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.9 t60 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.626 -167.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -88.76 112.32 23.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.621 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.45 -10.64 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.621 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.5 m-70 -95.33 -2.26 49.59 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.034 -0.416 . . . . 0.0 111.002 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.615 HD22 ' HE2' ' A' ' 24' ' ' LYS . 52.5 t30 -154.14 90.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.523 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.19 94.86 9.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.446 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.615 ' HE2' HD22 ' A' ' 22' ' ' ASN . 56.3 pttt -160.14 158.47 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.0 94.81 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.777 0.799 . . . . 0.0 109.845 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -96.36 159.56 14.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.641 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 19.0 m-20 62.85 -92.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.145 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 172.02 -29.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.33 24.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.761 -170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -131.28 126.74 21.53 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.68 147.29 75.61 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.888 2.392 . . . . 0.0 110.989 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' CD2' ' A' ' 33' ' ' HIS . 14.6 p -146.09 124.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.582 . . . . 0.0 110.731 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' CD2' HG22 ' A' ' 32' ' ' VAL . 88.5 m-70 69.89 163.25 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.627 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 62.94 24.49 14.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.897 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t -75.81 93.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.469 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.532 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.532 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.61 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.61 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m -68.29 90.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.725 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.6 t70 -59.79 -66.99 0.43 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.19 172.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 172.18 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.309 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.59 ' HB3' ' HZ1' ' A' ' 108' ' ' LYS . 2.6 mmmp? -67.04 -12.64 60.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.116 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.725 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -91.54 -15.16 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 -176.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -66.03 -47.12 75.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.472 -170.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 68.22 -37.61 0.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.233 1.013 . . . . 0.0 112.986 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 110' ' ' LEU . 15.9 m-70 -60.55 108.69 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 9.4 p80 -56.95 108.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.26 -175.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 18.5 t-80 173.14 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.31 178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 66.27 88.75 0.1 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.673 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -108.97 120.19 41.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.048 -175.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 88.8 mt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 48.82 95.79 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.88 0.872 . . . . 0.0 112.656 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.53 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.474 HD13 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm -59.44 -32.71 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.76 1.05 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.74 114.02 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.92 0.39 . . . . 0.0 111.42 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -116.41 15.5 15.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.468 0.651 . . . . 0.0 109.649 171.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 95.65 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.693 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -163.09 165.35 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.38 -27.81 65.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 67.56 85.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.893 0.854 . . . . 0.0 110.779 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -129.88 -49.37 1.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.7 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -96.15 64.01 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 0.0 110.778 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.34 128.23 45.68 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.673 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.91 112.03 3.41 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.757 2.305 . . . . 0.0 111.672 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.733 HG12 ' H ' ' A' ' 34' ' ' GLN . 44.3 t -100.9 -63.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.356 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.42 -4.43 1.35 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.008 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.733 ' H ' HG12 ' A' ' 32' ' ' VAL . 36.3 tt0 51.81 73.14 0.34 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -171.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.0 119.91 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.256 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HE1' ' HE1' ' A' ' 90' ' ' TRP . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.614 ' HE3' ' SD ' ' A' ' 97' ' ' MET . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.53 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HB2' HD23 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.791 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.576 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.798 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.798 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HB2' HD11 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD3' HD13 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' HE1' ' HE1' ' A' ' 43' ' ' MET . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.614 ' SD ' ' HE3' ' A' ' 47' ' ' MET . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.419 HG21 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m -78.19 166.2 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 108' ' ' LYS . 22.6 t70 -57.18 106.76 0.35 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.241 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' O ' HD22 ' A' ' 110' ' ' LEU . 23.0 tt0 -54.16 13.69 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.582 -1.644 . . . . 0.0 114.712 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 106' ' ' ASP . 82.1 mttt -106.24 -25.12 12.1 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 121.471 -0.768 . . . . 0.0 110.677 169.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.431 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -96.64 13.39 28.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.666 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 107' ' ' GLU . 2.0 pt? -75.63 -19.67 59.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.726 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 71.43 -51.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.032 0.832 . . . . 0.0 111.879 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.47 114.73 16.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 32.1 p-80 -85.01 148.06 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 9.9 m170 67.29 114.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 110.455 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -84.52 -177.33 6.58 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.9 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -117.94 160.97 20.53 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.449 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.387 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 -72.59 157.45 37.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.406 HG21 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD21 ' HG ' ' A' ' 54' ' ' SER . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm -57.06 -34.78 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.62 0.23 43.98 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.738 -176.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -148.93 79.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -120.44 141.34 50.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.612 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -151.31 -134.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.53 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.27 -53.63 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.312 0.577 . . . . 0.0 109.934 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.25 87.94 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 14.5 m-20 -65.12 -69.98 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.285 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -138.83 -113.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.57 -0.93 54.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.778 0.799 . . . . 0.0 109.882 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.98 116.63 3.53 Favored Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.563 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 72.6 Cg_endo -83.12 156.13 14.9 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.84 2.36 . . . . 0.0 112.869 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 91' ' ' LEU . 92.5 t -82.38 106.16 12.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.822 0.82 . . . . 0.0 111.1 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CD2' ' HG2' ' A' ' 31' ' ' PRO . 7.0 p80 -163.5 178.58 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.344 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 57.5 mt-30 68.74 -161.57 0.19 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.648 0.593 . . . . 0.0 110.762 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 34' ' ' GLN . 92.5 t 86.31 112.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.752 0.821 . . . . 0.0 111.814 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.573 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.573 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.538 ' HG3' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.546 ' HG ' HD21 ' A' ' 6' ' ' LEU . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 7' ' ' THR . 3.9 tp-100 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' HB2' HG11 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.404 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.589 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.623 ' HB2' HG12 ' A' ' 32' ' ' VAL . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.538 ' SD ' ' HG3' ' A' ' 47' ' ' MET . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.967 ' HB ' HD21 ' A' ' 110' ' ' LEU . 17.2 m -81.76 138.39 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.5 106.84 17.52 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.524 -1.671 . . . . 0.0 109.056 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -8.24 -61.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 O-C-N 125.213 1.571 . . . . 0.0 114.513 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.72 -26.53 67.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -97.01 8.87 43.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 111.013 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.967 HD21 ' HB ' ' A' ' 105' ' ' VAL . 55.9 mt -83.78 -22.73 31.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 43.87 32.37 0.6 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.388 1.055 . . . . 0.0 111.954 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -83.18 104.41 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.269 0.556 . . . . 0.0 111.503 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -82.65 -17.08 45.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -80.55 141.98 34.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.413 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.16 -38.78 87.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.633 0.254 . . . . 0.0 111.008 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -155.15 -61.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.636 -178.426 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.576 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.538 HD12 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.408 HD22 ' HB ' ' A' ' 56' ' ' VAL . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.537 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.576 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 9' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 78' ' ' THR . 4.8 m-20 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.597 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.597 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.269 0.557 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.572 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 15' ' ' ARG . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.568 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 59' ' ' LYS . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.442 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.587 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD21 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.626 ' OE1' ' HA ' ' A' ' 92' ' ' ASP . 32.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' HB2' ' H ' ' A' ' 36' ' ' SER . 1.5 m-20 -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.41 ' HE2' HD12 ' A' ' 50' ' ' LEU . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' HD22 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.712 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.626 ' HA ' ' OE1' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.43 HG13 ' HA2' ' A' ' 102' ' ' GLY . 24.0 m . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.456 0.646 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 100' ' ' PHE . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.521 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.621 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HB2' HD13 ' A' ' 82' ' ' ILE . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.621 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 75' ' ' GLU . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.869 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.488 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.609 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 101' ' ' LEU . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.624 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.514 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.624 HG22 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.42 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.432 HG21 HD22 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 43' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.854 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.655 HG21 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.573 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.434 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.471 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.471 HG23 ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 24.1 tp60 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.186 0.517 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG3' ' HA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.634 HG12 HD13 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD13 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.433 HG12 HG22 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HB2' HD13 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.556 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.45 ' HE1' ' HB2' ' A' ' 43' ' ' MET . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.53 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.53 HG12 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 50.0 tp60 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.572 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 101' ' ' LEU . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD13 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 78' ' ' THR . 83.4 m-20 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.403 ' HA ' HD23 ' A' ' 101' ' ' LEU . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 97' ' ' MET . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.644 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.644 HG13 ' HA2' ' A' ' 102' ' ' GLY . 5.2 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.538 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.407 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.969 0.414 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.606 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD22 HG22 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' THR . 4.4 m-20 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.516 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.467 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 101' ' ' LEU . 16.9 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.104 0.478 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.514 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm . . . . . 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.638 0.733 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' H ' ' A' ' 36' ' ' SER . 3.8 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.623 ' HE2' HD12 ' A' ' 50' ' ' LEU . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 68.2 m-20 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HE2' ' A' ' 47' ' ' MET . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 73' ' ' VAL . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HB2' HG13 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.4 t30 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 101' ' ' LEU . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.442 HG22 ' HA2' ' A' ' 102' ' ' GLY . 29.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 39' ' ' ASN . 87.8 t . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.879 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' H ' ' HG3' ' A' ' 87' ' ' PRO . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG11 HD13 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG22 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HG3' ' H ' ' A' ' 69' ' ' TYR . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.597 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.499 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.553 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.691 ' HE2' HD12 ' A' ' 50' ' ' LEU . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.691 HD12 ' HE2' ' A' ' 47' ' ' MET . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.597 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.555 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG11 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.474 HD12 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.705 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.407 HD21 ' HB2' ' A' ' 60' ' ' PHE . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD23 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.545 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.804 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD23 HD13 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 48' ' ' ASN . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.538 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.538 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' HD12 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.461 ' SD ' HG11 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 54' ' ' SER . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' HD2' HH11 ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 12' ' ' VAL . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.644 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 9' ' ' LEU . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 15' ' ' ARG . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.424 ' HB3' HG12 ' A' ' 3' ' ' ILE . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 70' ' ' TYR . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.441 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.404 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.615 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD11 HG11 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.551 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 12.3 mm100 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' MET . 4.1 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 60' ' ' PHE . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HG2' HD13 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 48' ' ' ASN . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.407 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.552 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 43' ' ' MET . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 95' ' ' ALA . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.598 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.633 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.453 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.637 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.722 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.563 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.563 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 53' ' ' PRO . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' HE22 ' A' ' 55' ' ' GLN . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.52 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.576 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.719 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.523 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' HD12 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.56 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.56 HG13 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 51' ' ' LEU . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' HG22 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.507 HG22 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.461 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD3' HD12 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 17' ' ' ASP . 1.2 mp . . . . . 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.415 HG12 HG22 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HB2' HD13 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.464 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 35' ' ' VAL . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.539 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.622 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.622 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.507 HD12 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.967 0.889 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.477 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.477 ' HB2' ' H ' ' A' ' 36' ' ' SER . 1.4 t30 -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.598 ' HE2' ' HA ' ' A' ' 94' ' ' TYR . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB2' HD22 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.815 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.816 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.815 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 91' ' ' LEU . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.598 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.569 ' HG3' HD23 ' A' ' 101' ' ' LEU . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.569 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.499 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.893 0.377 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.701 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.665 0.745 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.6 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.549 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.412 ' OG ' HG22 ' A' ' 56' ' ' VAL . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 7' ' ' THR . 26.8 tp60 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.701 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.559 ' HG3' HD12 ' A' ' 101' ' ' LEU . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.559 HD12 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.517 HG13 ' HA2' ' A' ' 102' ' ' GLY . 17.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 104' ' ' PHE . 95.8 mt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.3 122.39 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.576 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.538 HD12 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm -54.59 -33.84 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -89.44 -31.73 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.68 70.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.32 0.581 . . . . 0.0 109.642 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.05 142.5 50.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.095 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -118.45 178.43 4.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.046 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -129.78 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -163.6 142.56 8.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.111 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.77 124.29 49.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 110.012 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -125.14 33.05 5.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.423 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 64.51 41.31 5.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.283 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 p -77.49 136.86 63.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.469 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.9 101.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.583 2.188 . . . . 0.0 112.884 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' VAL . 57.5 t -111.7 113.35 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.631 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.92 155.01 41.95 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.029 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.95 111.34 13.71 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t -74.96 93.63 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.408 HD22 ' HB ' ' A' ' 56' ' ' VAL . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.537 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 9' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 78' ' ' THR . 4.8 m-20 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.597 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 1' ' ' LEU . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.597 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m -71.17 157.1 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.01 104.08 2.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.893 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 31.4 tt0 -60.44 50.42 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.499 -1.682 . . . . 0.0 112.648 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -150.1 -43.74 0.13 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -74.54 -8.25 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.898 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 111' ' ' GLU . 2.3 pp -64.37 -39.25 93.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.337 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 27.79 44.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.012 1.325 . . . . 0.0 114.179 -179.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.489 ' HD2' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -106.08 81.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.127 0.965 . . . . 0.0 109.546 175.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -90.64 99.77 12.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.824 -170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -94.57 95.21 8.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.139 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -80.12 88.84 5.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.448 -171.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -152.66 81.19 1.23 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.977 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.668 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.95 95.72 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.641 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.572 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 15' ' ' ARG . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mm -56.02 -22.4 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -71.42 -33.22 69.24 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 109.95 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -82.17 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.785 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.53 1.22 2.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.27 101.8 4.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.999 0.428 . . . . 0.0 111.703 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -149.35 128.73 12.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -141.43 103.58 4.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.708 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.731 ' HB3' HG12 ' A' ' 30' ' ' VAL . 12.3 t70 -107.14 153.26 22.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -68.04 -15.32 63.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.719 0.295 . . . . 0.0 111.368 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.78 5.57 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG12 ' HB3' ' A' ' 27' ' ' ASP . 5.4 p -150.04 109.57 3.26 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-O 122.016 0.913 . . . . 0.0 111.692 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.92 89.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.85 2.366 . . . . 0.0 112.269 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 t -86.05 58.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.455 0.645 . . . . 0.0 109.797 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.68 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.868 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 65.17 32.7 9.94 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 110.631 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t -79.56 95.89 2.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.978 -176.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.568 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 59' ' ' LYS . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.442 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.587 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m -69.24 142.86 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -91.25 76.81 5.98 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.306 -174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' HD22 ' A' ' 110' ' ' LEU . 12.4 tp10 63.56 -75.04 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.704 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.76 -32.92 67.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . 74.3 mmtt -85.83 16.22 4.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 114' ' ' HIS . 1.3 pt? -72.24 -24.92 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.766 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' H ' HD23 ' A' ' 110' ' ' LEU . 27.8 tt0 68.11 -50.32 0.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.347 1.059 . . . . 0.0 112.167 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -75.99 163.31 27.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.309 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.56 105.34 11.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.605 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 7.1 t-160 -72.83 108.15 5.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -71.98 -48.53 44.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.592 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -126.88 119.48 26.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.934 176.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 51.37 89.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.779 0.674 . . . . 0.0 112.127 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD21 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' OD1' ' HE1' ' A' ' 21' ' ' HIS . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.626 ' OE1' ' HA ' ' A' ' 92' ' ' ASP . 32.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.8 -24.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HE1' ' OD1' ' A' ' 17' ' ' ASP . 23.0 m80 -98.32 1.61 47.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.143 0.497 . . . . 0.0 110.582 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -103.49 -67.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.644 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 55.35 36.63 27.48 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.417 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -86.65 34.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.948 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.95 -82.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -128.35 149.18 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 -171.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -120.95 -87.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.755 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -148.2 -75.62 0.18 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.417 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -87.37 -19.89 27.5 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.267 0.556 . . . . 0.0 111.631 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.47 124.25 82.05 Favored Pre-proline 0 C--N 1.311 -1.103 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.218 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HG2' ' HE2' ' A' ' 94' ' ' TYR . 63.2 Cg_endo -80.1 94.94 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.611 2.207 . . . . 0.0 112.201 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -100.95 110.6 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.463 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -146.96 163.31 36.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.451 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.63 121.72 17.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.136 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.94 124.52 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.41 ' HE2' HD12 ' A' ' 50' ' ' LEU . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' HD22 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.712 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.626 ' HA ' ' OE1' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' HE2' ' HG2' ' A' ' 31' ' ' PRO . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 110' ' ' LEU . 24.0 m -80.34 137.0 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.57 117.81 33.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.524 -1.671 . . . . 0.0 107.631 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 1.9 mp0 -20.76 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.297 -1.774 . . . . 0.0 114.478 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -79.95 -6.34 57.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.41 8.11 27.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.15 0.5 . . . . 0.0 110.101 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 105' ' ' VAL . 70.2 mt -71.74 -69.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.536 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.32 30.58 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.267 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -102.63 140.47 36.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -55.84 122.33 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.506 -169.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 63.6 t60 66.68 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.607 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 177.9 90.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -104.36 35.19 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.0 110.279 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.33 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.432 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 mm? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 62.25 115.81 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.795 0.838 . . . . 0.0 111.897 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 100' ' ' PHE . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.68 -40.69 85.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -10.26 38.04 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.75 -18.25 41.38 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 56.3 37.7 29.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.473 0.654 . . . . 0.0 110.614 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -127.56 122.93 34.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.197 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.05 138.03 39.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -143.32 134.29 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.422 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -135.44 8.5 3.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.122 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -68.18 -47.18 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.912 -172.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -132.55 86.54 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.367 0.603 . . . . 0.0 109.902 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 32' ' ' VAL . 7.1 p -150.69 144.58 17.44 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.156 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 30' ' ' VAL . 55.4 Cg_endo -74.47 22.19 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.287 1.991 . . . . 0.0 112.616 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 30' ' ' VAL . 43.4 t 45.21 -92.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 113.465 -1.698 . . . . 0.0 113.556 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 1.6 m-70 65.12 89.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.934 0.771 . . . . 0.0 109.79 -169.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -58.93 107.35 0.52 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.33 139.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.17 -172.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.521 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.621 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HB2' HD13 ' A' ' 82' ' ' ILE . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.621 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 75' ' ' GLU . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.869 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.488 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.609 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 101' ' ' LEU . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.624 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.624 HG22 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m -107.54 168.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -114.16 82.71 1.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.657 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 5.0 tp10 53.67 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 164.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 108' ' ' LYS . 20.5 mtpt -72.47 -10.44 59.79 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.528 -0.732 . . . . 0.0 111.055 -175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -83.75 5.54 24.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.55 0.69 . . . . 0.0 109.217 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 24.6 mt -100.09 -2.44 34.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.516 174.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 62.07 -6.53 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.02 49.61 1.67 Allowed 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.109 -0.994 . . . . 0.0 111.492 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 61.0 -102.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.785 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -137.81 -43.36 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -154.57 161.7 41.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.941 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -122.3 169.28 11.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.734 0.302 . . . . 0.0 110.197 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.761 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -118.73 118.62 32.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.42 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.432 HG21 HD22 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.791 HE22 ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt -54.04 -21.63 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -79.19 -10.19 59.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.973 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -125.8 -76.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.936 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.791 ' HA ' HE22 ' A' ' 19' ' ' GLN . 39.6 mt-30 59.02 33.12 22.82 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.663 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -119.98 118.89 31.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.801 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' HB2' HG22 ' A' ' 30' ' ' VAL . 3.9 p-10 -82.13 -31.69 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 64.58 74.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.818 172.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 71.82 -24.28 0.18 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 161.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.48 5.99 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -167.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.17 70.73 0.63 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 30.4 m -104.63 171.32 5.11 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 13.3 Cg_endo -58.75 100.91 0.12 Allowed 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 121.869 1.713 . . . . 0.0 111.415 171.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.6 p -156.43 154.1 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.933 -174.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 32.4 m80 76.55 -68.95 0.17 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.155 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.18 85.68 5.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.365 0.602 . . . . 0.0 111.625 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.71 113.68 39.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.862 173.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 43' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.854 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.655 HG21 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.573 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.434 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.471 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.671 ' HB ' HD23 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.42 99.21 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.527 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 30.6 t70 -75.96 83.01 2.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.901 -171.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 10.9 tp10 50.46 -85.49 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -65.78 -20.37 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.6 -0.687 . . . . 0.0 110.308 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -85.12 -3.87 58.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.025 178.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.671 HD23 ' HB ' ' A' ' 105' ' ' VAL . 37.4 mt -68.97 -41.41 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.96 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 71.47 -3.7 2.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.599 -173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -78.25 136.96 37.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -55.52 -63.27 1.22 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 111.564 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -139.85 95.07 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -112.68 83.49 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -163.15 84.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.472 171.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.138 -177.671 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 103' ' ' LEU . 8.1 mp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.723 0.296 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -72.78 111.85 8.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 7.3 tp-100 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -46.71 -28.78 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -78.51 -41.29 32.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.68 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -135.96 101.16 4.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.457 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -87.05 1.57 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.336 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -80.86 133.03 35.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.652 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -157.74 -47.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.864 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -106.53 138.53 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -90.63 -37.25 13.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.858 0.361 . . . . 0.0 110.974 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -68.24 -52.17 37.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -174.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -145.14 97.97 3.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.166 0.508 . . . . 0.0 110.862 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.67 157.48 27.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.331 167.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.34 97.63 0.1 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.501 2.134 . . . . 0.0 112.704 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 34' ' ' GLN . 67.2 t -89.29 -62.97 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.67 -11.91 0.8 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.159 173.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.534 ' H ' HG12 ' A' ' 32' ' ' VAL . 76.7 mt-30 59.99 75.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.237 0.541 . . . . 0.0 109.635 -174.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.91 119.35 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.437 -173.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG3' ' HA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.634 HG12 HD13 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD13 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.433 HG12 HG22 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HB2' HD13 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.556 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.45 ' HE1' ' HB2' ' A' ' 43' ' ' MET . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.53 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 1' ' ' LEU . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.53 HG12 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p -82.96 161.99 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -149.11 13.21 0.87 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.986 0.898 . . . . 0.0 109.975 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 105' ' ' VAL . 7.6 tp10 -76.9 -54.08 7.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.834 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.33 -22.24 62.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.04 0.448 . . . . 0.0 111.465 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.95 12.98 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HG ' ' H ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -77.14 -38.82 51.16 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.377 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 110' ' ' LEU . 11.3 pt-20 32.94 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.156 1.382 . . . . 0.0 113.922 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.58 ' H ' ' HG ' ' A' ' 110' ' ' LEU . 2.3 m-70 -132.77 143.56 49.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.203 -0.31 . . . . 0.0 111.354 -177.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 29.7 t60 65.98 18.55 11.08 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.969 0.793 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -149.73 120.95 7.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -73.02 93.67 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -75.13 -24.89 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.022 -173.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.549 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 64.86 95.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 50.0 tp60 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -62.92 -18.93 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -79.3 -2.97 43.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.238 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.52 -41.49 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 41.2 mt-30 64.66 -170.05 0.19 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttm 72.8 63.02 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.922 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.36 60.59 2.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.653 170.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -75.76 90.46 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.35 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.01 143.65 26.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.888 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -95.94 -79.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.681 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -146.78 24.24 1.21 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -98.65 136.72 20.66 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-O 120.948 0.404 . . . . 0.0 111.613 -173.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.0 85.06 1.82 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.401 2.068 . . . . 0.0 112.189 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.6 p -157.6 136.25 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.963 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -156.47 -36.13 0.08 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.893 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.65 122.3 47.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t -113.1 132.91 60.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.572 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 101' ' ' LEU . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD13 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 78' ' ' THR . 83.4 m-20 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.403 ' HA ' HD23 ' A' ' 101' ' ' LEU . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 97' ' ' MET . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.644 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.644 HG13 ' HA2' ' A' ' 102' ' ' GLY . 5.2 m -66.58 166.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.74 9.96 24.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.49 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.71 ' HA ' HD21 ' A' ' 110' ' ' LEU . 7.9 tp10 72.26 159.51 0.21 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' H ' HD11 ' A' ' 110' ' ' LEU . 84.4 mttt 69.73 -32.1 0.22 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.227 0.611 . . . . 0.0 112.451 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 107' ' ' GLU . 5.6 mptt -104.06 31.7 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.289 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -126.37 -36.07 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.318 -175.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' H ' HD12 ' A' ' 110' ' ' LEU . 4.9 mm-40 51.19 34.9 12.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.223 0.535 . . . . 0.0 110.926 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.541 ' ND1' HD13 ' A' ' 110' ' ' LEU . 2.2 p-80 -65.44 106.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.748 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -84.21 -17.01 41.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.537 0.684 . . . . 0.0 109.28 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -155.52 143.29 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.265 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -91.76 102.52 15.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.285 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -99.9 176.32 5.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 168.679 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -131.31 122.14 25.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 -173.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.538 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt -50.88 -34.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -91.3 -5.31 54.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.182 -174.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -90.43 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.127 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 57.1 94.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.696 . . . . 0.0 112.259 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -121.8 144.47 48.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.882 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -85.04 19.49 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -124.35 129.61 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.0 110.222 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.58 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.022 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -82.33 -65.53 1.0 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.639 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.93 26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.944 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.34 128.5 25.95 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.345 0.593 . . . . 0.0 110.95 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.1 71.83 6.83 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.408 2.072 . . . . 0.0 112.791 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG22 ' HG ' ' A' ' 91' ' ' LEU . 13.9 p -147.07 118.88 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.081 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 p80 178.3 146.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.779 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 55.25 46.26 24.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.498 0.666 . . . . 0.0 110.274 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m -85.12 -178.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.606 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD22 HG22 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' THR . 4.4 m-20 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.516 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.467 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' HG22 ' A' ' 32' ' ' VAL . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.814 HG21 HD21 ' A' ' 110' ' ' LEU . 16.9 m -60.23 135.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 29.8 t70 -94.28 84.79 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.393 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 29.6 tt0 25.7 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.107 1.763 . . . . 0.0 115.712 172.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.62 -10.54 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -175.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.7 mptt -88.11 -4.37 58.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.448 . . . . 0.0 110.031 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.814 HD21 HG21 ' A' ' 105' ' ' VAL . 36.8 mt -80.97 -48.85 11.71 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.332 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.93 16.53 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.234 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -71.51 112.71 7.86 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.8 83.08 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 0.0 111.868 -168.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.33 -55.39 0.08 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 171.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 52.77 86.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.114 0.883 . . . . 0.0 112.216 166.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -154.95 110.36 3.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 111.0 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.822 176.607 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 1' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.269 0.557 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -98.49 129.17 45.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.514 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm -53.45 -18.04 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -58.0 -33.73 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.558 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -101.92 122.39 43.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -135.92 23.89 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 1.5 ttpm? -92.79 4.32 54.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.39 157.07 17.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -163.14 -67.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.119 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -108.31 83.17 1.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 0.0 109.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -138.19 -167.86 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.961 -174.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.89 28.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.171 0.51 . . . . 0.0 111.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.65 135.05 41.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.199 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 30.3 Cg_exo -61.54 112.47 1.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.674 2.25 . . . . 0.0 111.794 176.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 31' ' ' PRO . 73.5 t 74.05 121.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 O-C-N 123.931 0.769 . . . . 0.0 111.24 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' GLN . 6.5 p80 -150.76 170.56 18.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.13 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 49.3 mt-30 70.47 -70.35 0.15 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.048 0.843 . . . . 0.0 110.356 -170.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t 71.43 131.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.229 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' H ' ' A' ' 36' ' ' SER . 3.8 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.623 ' HE2' HD12 ' A' ' 50' ' ' LEU . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 68.2 m-20 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HE2' ' A' ' 47' ' ' MET . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 73' ' ' VAL . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HB2' HG13 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.4 t30 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 101' ' ' LEU . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.687 HG12 ' HD3' ' A' ' 109' ' ' LYS . 29.9 m -60.74 121.23 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -97.67 85.39 3.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.853 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 32.8 tt0 66.35 -70.97 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.966 0.791 . . . . 0.0 112.896 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -74.86 -14.08 60.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.152 0.501 . . . . 0.0 110.277 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.687 ' HD3' HG12 ' A' ' 105' ' ' VAL . 32.5 tttp -93.53 5.62 50.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 15.4 mt -84.28 -81.25 0.18 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.662 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 69.3 -11.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.209 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -62.31 126.0 25.83 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.546 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -83.97 174.18 10.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.021 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.5 m80 66.33 -177.24 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.199 0.523 . . . . 0.0 110.238 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -115.48 43.64 2.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.262 0.553 . . . . 0.0 109.575 173.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -92.11 85.56 5.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.421 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.067 178.311 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 60.07 108.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -58.64 -28.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -1.99 40.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -153.19 111.62 3.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.55 ' HG3' HH12 ' A' ' 89' ' ' ARG . 1.7 mp0 -83.46 48.09 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -122.25 110.13 15.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -173.36 82.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.86 169.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -106.27 101.31 10.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.145 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.69 132.69 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 62.41 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.946 0.779 . . . . 0.0 111.637 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -81.92 64.86 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.669 0.747 . . . . 0.0 111.232 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 32' ' ' VAL . 19.1 m -76.06 148.85 81.92 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.038 172.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.79 89.09 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.526 2.151 . . . . 0.0 113.062 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 30' ' ' VAL . 14.9 p -171.27 134.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.561 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -145.23 -63.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.417 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.51 24.07 5.5 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 39' ' ' ASN . 87.8 t 61.53 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.588 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.879 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 112' ' ' HIS . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' H ' ' HG3' ' A' ' 87' ' ' PRO . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG11 HD13 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG22 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HG3' ' H ' ' A' ' 69' ' ' TYR . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m -102.43 160.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 108' ' ' LYS . 28.0 t70 -148.23 82.06 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.151 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 39.08 -76.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.47 1.508 . . . . 0.0 113.949 169.248 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -52.22 -39.86 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.908 -178.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -91.1 10.53 26.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.445 -175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 105' ' ' VAL . 73.7 mt -76.1 -33.74 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 111.016 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.94 13.7 8.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.52 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 40.4 m170 -93.83 -72.29 0.62 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.519 ' HB3' ' OE1' ' A' ' 107' ' ' GLU . 21.8 t-160 -93.18 -62.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.522 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.8 t60 61.32 76.73 0.36 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.461 0.648 . . . . 0.0 110.482 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' HIS . 71.8 t60 -139.56 -67.16 0.45 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.421 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 49.3 t-80 164.54 17.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -171.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.45 ' H ' ' H ' ' A' ' 116' ' ' HIS . 39.7 t-80 . . . . . 0 CA--C 1.528 0.099 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.122 -165.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 94.5 mt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.779 0.323 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -148.04 131.54 16.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.597 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -21.57 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -65.82 -25.89 67.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.805 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.17 84.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.672 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -97.59 109.31 22.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.414 0.626 . . . . 0.0 110.458 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -94.94 153.32 17.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.743 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.77 11.72 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.463 0.649 . . . . 0.0 110.405 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -154.38 169.07 24.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -71.02 167.28 19.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -101.25 -47.67 4.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.59 25.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.16 142.01 29.39 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.4 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.12 38.91 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.033 2.488 . . . . 0.0 112.554 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.61 123.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.421 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.825 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 11.2 p80 -166.01 38.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.314 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -138.82 136.88 36.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.715 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t -140.75 154.75 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.553 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.691 ' HE2' HD12 ' A' ' 50' ' ' LEU . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.691 HD12 ' HE2' ' A' ' 47' ' ' MET . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.597 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.763 ' HB ' HD23 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -126.16 104.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' LYS . 21.4 t70 -93.83 82.73 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.56 -177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 53.94 -76.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' ASP . 75.3 mmtt -64.75 -20.72 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.115 0.483 . . . . 0.0 110.511 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -98.4 12.06 36.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.634 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.763 HD23 ' HB ' ' A' ' 105' ' ' VAL . 39.1 mt -73.19 -27.78 61.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 29.0 mm-40 71.63 -29.76 0.2 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.659 0.599 . . . . 0.0 112.116 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.0 m170 -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -50.83 121.64 6.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.315 0.579 . . . . 0.0 111.866 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -129.37 133.5 47.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.495 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -101.27 139.9 36.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.809 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.2 t60 70.39 -67.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.423 0.689 . . . . 0.0 110.883 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.494 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.688 0.28 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.13 110.54 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.555 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG11 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.474 HD12 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm -56.7 -24.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -98.63 9.16 43.9 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.385 -174.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -116.33 -83.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 56.49 26.81 11.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.851 0.46 . . . . 0.0 112.226 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -85.91 -165.66 1.31 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.63 -62.3 1.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.518 0.511 . . . . 0.0 110.617 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -101.91 122.79 44.7 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.759 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.59 -165.78 1.68 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.03 164.66 25.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -76.67 41.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.212 0.529 . . . . 0.0 111.568 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 92' ' ' ASP . 3.4 p -68.67 128.58 92.91 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.208 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.95 89.53 1.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.306 2.004 . . . . 0.0 112.403 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 91' ' ' LEU . 43.9 t -95.96 102.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.655 0.74 . . . . 0.0 110.253 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' H ' HD13 ' A' ' 91' ' ' LEU . 11.6 p80 -153.19 152.4 31.19 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.769 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.67 108.21 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.986 0.422 . . . . 0.0 111.74 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m -89.67 122.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.705 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 HD21 ' HB2' ' A' ' 60' ' ' PHE . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD23 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.545 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.804 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD23 HD13 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 48' ' ' ASN . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.538 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.538 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' HD12 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 32' ' ' VAL . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 30' ' ' VAL . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.461 ' SD ' HG11 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m -106.82 119.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.0 t70 70.71 -2.55 2.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.16 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 7.2 tt0 69.51 -43.64 0.53 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.119 0.968 . . . . 0.0 112.284 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -58.82 -29.49 66.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.298 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.77 2.13 39.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 111.465 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -79.77 -10.96 59.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.315 0.578 . . . . 0.0 109.602 174.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 71.12 -12.96 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.34 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.461 ' H ' ' HG ' ' A' ' 110' ' ' LEU . 58.4 m170 62.92 24.17 14.4 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.389 0.614 . . . . 0.0 110.394 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 20.7 t-80 -90.41 -7.8 52.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.974 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 44.4 m-70 69.82 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.602 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.4 m80 63.11 -176.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.364 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -143.77 177.21 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.346 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.695 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -110.25 122.99 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 54' ' ' SER . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' HD2' HH11 ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 12' ' ' VAL . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.644 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 9' ' ' LEU . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.509 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -75.91 -43.17 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -85.37 -5.83 59.27 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.114 0.483 . . . . 0.0 111.09 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -153.15 92.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.85 78.5 7.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.263 0.554 . . . . 0.0 110.875 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -76.42 84.42 3.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.315 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.28 146.67 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.247 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -108.55 111.16 22.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 28' ' ' ASN . 21.7 t70 -124.5 176.68 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 9.0 t30 75.43 120.74 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.376 0.67 . . . . 0.0 111.307 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.09 24.08 14.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.481 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 2.7 p -144.79 116.49 5.31 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 121.446 0.641 . . . . 0.0 110.037 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 20.6 Cg_exo -63.4 108.59 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.004 2.469 . . . . 0.0 111.442 177.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -85.75 106.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.324 1.059 . . . . 0.0 110.239 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 39' ' ' ASN . 40.4 m80 -80.2 125.08 29.39 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.202 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -83.22 20.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.931 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t 64.14 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.424 ' HB3' HG12 ' A' ' 3' ' ' ILE . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 70' ' ' TYR . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.441 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.404 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m -67.13 154.09 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.445 ' HB3' ' HG2' ' A' ' 109' ' ' LYS . 37.2 t70 -93.67 9.63 36.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.364 -178.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.964 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.9 tt0 71.3 -58.2 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.643 0.777 . . . . 0.0 110.98 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.52 -15.53 62.76 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.109 0.48 . . . . 0.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 106' ' ' ASP . 72.7 mmtt -96.92 -3.07 42.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.712 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.3 pp -88.2 6.23 37.74 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.933 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 76.91 1.92 3.25 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 110.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 m170 69.58 -165.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.456 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -149.06 153.83 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.331 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.04 136.95 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -162.59 146.69 11.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -69.42 98.29 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.32 -0.708 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.125 0.488 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -97.94 124.38 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.687 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.615 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD11 HG11 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.551 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 24.0 mm-40 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm -51.75 -48.41 38.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -74.51 -5.82 44.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -174.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 3.4 t-20 -111.78 -15.09 13.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.65 -175.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 57.88 77.92 0.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.594 0.712 . . . . 0.0 109.217 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 12.7 mmtp -99.21 150.28 22.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.47 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -141.24 101.08 3.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.909 170.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -79.64 131.04 35.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.382 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -83.75 93.05 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -73.83 157.06 37.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.882 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.8 7.76 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.787 0.803 . . . . 0.0 110.444 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.7 p -120.45 135.78 24.8 Favored Pre-proline 0 C--N 1.312 -1.045 0 CA-C-N 114.249 -1.342 . . . . 0.0 107.624 171.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' HD2' HG23 ' A' ' 30' ' ' VAL . 32.7 Cg_endo -65.39 81.33 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.6 2.2 . . . . 0.0 113.368 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.23 108.85 22.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.564 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -144.02 15.4 1.72 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.785 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -160.38 149.59 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.738 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -111.62 121.04 63.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' MET . 4.1 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 60' ' ' PHE . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HG2' HD13 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 48' ' ' ASN . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.407 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.552 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 43' ' ' MET . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 95' ' ' ALA . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.598 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m 50.94 135.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.14 98.11 4.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.66 166.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.774 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.8 tt0 -4.77 -57.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.46 1.904 . . . . 0.0 115.91 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.12 -18.64 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -103.75 9.96 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.9 pp -85.7 6.06 29.35 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.55 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 78.83 -43.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.932 0.893 . . . . 0.0 111.766 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.569 ' H ' HD12 ' A' ' 110' ' ' LEU . 50.3 m-70 66.77 96.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.778 0.431 . . . . 0.0 110.722 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -89.37 -26.64 20.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.318 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -144.95 102.7 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.388 0.613 . . . . 0.0 112.123 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -104.21 -12.6 16.59 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -128.11 145.83 50.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.62 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.9 m80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.347 178.34 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -133.06 133.47 43.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.32 -47.14 93.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 18' ' ' THR . 1.5 p-80 -80.9 -23.05 39.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.506 -175.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -115.56 77.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.455 0.645 . . . . 0.0 109.791 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -83.92 88.5 7.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.235 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -84.84 4.31 33.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.492 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 t70 64.29 91.43 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.756 0.66 . . . . 0.0 111.003 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -99.82 114.89 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.846 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -150.03 141.14 23.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.351 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -129.97 33.73 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.425 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.35 39.38 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.593 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.0 t -97.01 137.82 21.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.627 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 8.2 Cg_exo -72.36 50.87 1.67 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.448 2.766 . . . . 0.0 113.084 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG23 HG22 ' A' ' 35' ' ' VAL . 10.2 p -152.68 115.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.832 0.825 . . . . 0.0 110.901 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' HA ' HD11 ' A' ' 91' ' ' LEU . 5.6 p80 -159.48 -30.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.3 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -112.88 -22.13 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 109.251 170.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t 72.03 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.557 173.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.633 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.453 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.637 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.722 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 33' ' ' HIS . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.563 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.563 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -59.56 132.68 24.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -91.55 85.15 5.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.307 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 43.4 tt0 59.25 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 165.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -68.62 -23.17 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.6 mttt -85.3 1.52 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.831 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 95.0 mt -86.52 -16.41 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.636 174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 56.95 25.75 10.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.243 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.64 -176.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.287 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB3' ' A' ' 114' ' ' HIS . 9.8 t60 -66.04 -54.83 20.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 113' ' ' HIS . 0.3 OUTLIER 162.49 173.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.06 0.944 . . . . 0.0 109.042 173.491 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -126.54 -50.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.558 0.218 . . . . 0.0 111.044 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -135.61 -9.59 2.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.399 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.143 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -130.58 139.4 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 53' ' ' PRO . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' HE22 ' A' ' 55' ' ' GLN . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm -62.03 -19.18 21.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -75.06 -14.66 60.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.002 0.43 . . . . 0.0 110.318 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -97.41 -79.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.906 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 55.57 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.725 0.64 . . . . 0.0 112.095 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG2' ' H ' ' A' ' 25' ' ' ASP . 82.1 tttt -135.51 -176.78 4.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.798 -177.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.781 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 20.6 m-20 72.62 97.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.035 0.921 . . . . 0.0 112.262 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -135.7 20.8 3.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.709 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.77 -167.9 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.795 -172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.85 -40.04 9.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.66 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -88.75 35.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.756 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 32' ' ' VAL . 4.1 p -143.29 133.29 11.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.35 78.71 1.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.53 2.154 . . . . 0.0 112.128 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.1 p -164.16 148.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.832 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 10.9 m-70 76.35 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.872 0.732 . . . . 0.0 112.033 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.45 72.11 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.332 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m -123.31 -173.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.52 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.576 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.719 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.523 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' HD12 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 32' ' ' VAL . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.56 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.56 HG13 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m -77.08 155.01 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -88.99 84.77 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.401 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 10.2 tt0 33.26 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.08 1.352 . . . . 0.0 114.124 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -47.32 -41.38 19.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.32 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -87.83 25.55 1.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.296 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.2 pt? -78.77 -17.87 55.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.89 -55.23 0.65 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.433 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -83.65 159.5 21.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -80.97 64.4 5.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -87.91 -67.08 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.002 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.81 126.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.403 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -91.68 93.79 9.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.554 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.5 t60 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.99 179.024 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 88.6 mt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.887 0.375 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.61 138.56 44.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 175.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.661 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm -58.2 -25.07 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.661 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -99.84 17.45 20.76 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.84 0.353 . . . . 0.0 111.844 177.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 25' ' ' ASP . 60.2 t30 -143.03 102.83 4.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -90.54 124.5 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -172.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 73.71 -0.31 3.4 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.879 166.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . 29.9 t70 -94.1 84.97 4.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t30 177.23 138.76 0.07 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 -173.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -98.4 55.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.817 0.818 . . . . 0.0 109.668 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -178.51 176.1 1.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 56.58 72.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 111.372 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 16.0 m -120.54 166.27 15.95 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.157 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 15.4 Cg_endo -58.0 107.66 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.33 2.02 . . . . 0.0 111.856 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.3 p -145.99 158.59 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 79.88 -33.5 0.13 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.07 0.856 . . . . 0.0 110.965 178.723 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 68.19 157.07 0.13 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.033 0.833 . . . . 0.0 109.35 -172.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -127.88 105.88 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.619 -0.676 . . . . 0.0 109.225 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 51' ' ' LEU . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' HG22 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.507 HG22 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.461 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD3' HD12 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 1' ' ' LEU . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.47 100.21 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.65 14.45 12.65 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.07 0.938 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 36.1 tt0 -69.64 -66.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.419 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -86.05 -0.93 56.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -94.36 10.69 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.911 170.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.4 pt? -67.59 -21.0 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.532 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 69.8 -50.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.018 0.927 . . . . 0.0 111.948 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -80.16 89.58 5.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.472 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -167.7 77.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 50.93 90.78 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.006 0.816 . . . . 0.0 111.872 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -86.51 124.79 33.21 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.494 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -103.2 77.71 1.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 167.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.9 t60 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.626 -167.887 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -88.76 112.32 23.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 17' ' ' ASP . 1.2 mp -58.45 -10.64 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' HE1' ' OD1' ' A' ' 17' ' ' ASP . 11.2 m80 -95.33 -2.26 49.59 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.034 -0.416 . . . . 0.0 111.002 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.47 HD22 ' HD3' ' A' ' 24' ' ' LYS . 2.6 t-20 -154.14 90.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.523 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.19 94.86 9.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.446 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HD3' HD22 ' A' ' 22' ' ' ASN . 56.3 pttt -160.14 158.47 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.0 94.81 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.777 0.799 . . . . 0.0 109.845 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -96.36 159.56 14.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.641 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 19.0 m-20 62.85 -92.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.145 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 172.02 -29.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.33 24.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.761 -170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.6 p -131.28 126.74 21.53 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 14.6 Cg_exo -67.68 147.29 75.61 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.888 2.392 . . . . 0.0 110.989 173.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 14.6 p -146.09 124.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.582 . . . . 0.0 110.731 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 61.6 m80 69.89 163.25 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.627 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 62.94 24.49 14.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.897 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t -75.81 93.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.415 HG12 HG22 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HB2' HD13 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.464 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 35' ' ' VAL . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.539 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.622 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.622 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m -68.29 90.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.742 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.6 t70 -59.79 -66.99 0.43 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.19 172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 172.18 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.309 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 2.6 mmmp? -67.04 -12.64 60.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.116 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.742 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -91.54 -15.16 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 -176.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -66.03 -47.12 75.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.472 -170.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 110' ' ' LEU . 59.9 tt0 68.22 -37.61 0.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.233 1.013 . . . . 0.0 112.986 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -60.55 108.69 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 9.4 p80 -56.95 108.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.26 -175.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 18.5 t-80 173.14 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.31 178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 66.27 88.75 0.1 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.673 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.403 ' H ' HD13 ' A' ' 110' ' ' LEU . 76.6 t60 -108.97 120.19 41.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.6 t60 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.048 -175.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 88.8 mt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 48.82 95.79 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.88 0.872 . . . . 0.0 112.656 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.507 HD12 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm -59.44 -32.71 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -76.76 1.05 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.74 114.02 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.92 0.39 . . . . 0.0 111.42 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -116.41 15.5 15.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.468 0.651 . . . . 0.0 109.649 171.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 95.65 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.693 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -163.09 165.35 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.38 -27.81 65.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 67.56 85.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.893 0.854 . . . . 0.0 110.779 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -129.88 -49.37 1.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.7 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -96.15 64.01 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 0.0 110.778 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.34 128.23 45.68 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.673 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.91 112.03 3.41 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.757 2.305 . . . . 0.0 111.672 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 34' ' ' GLN . 44.3 t -100.9 -63.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.356 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.42 -4.43 1.35 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.008 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.817 ' H ' HG12 ' A' ' 32' ' ' VAL . 36.3 tt0 51.81 73.14 0.34 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -171.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.0 119.91 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.256 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.477 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.477 ' HB2' ' H ' ' A' ' 36' ' ' SER . 1.4 t30 -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.598 ' HE2' ' HA ' ' A' ' 94' ' ' TYR . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB2' HD22 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.815 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.816 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.815 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 91' ' ' LEU . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.598 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.569 ' HG3' HD23 ' A' ' 101' ' ' LEU . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.569 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m -78.19 166.2 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 108' ' ' LYS . 22.6 t70 -57.18 106.76 0.35 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.241 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' O ' HD22 ' A' ' 110' ' ' LEU . 23.0 tt0 -54.16 13.69 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.582 -1.644 . . . . 0.0 114.712 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 106' ' ' ASP . 82.1 mttt -106.24 -25.12 12.1 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 121.471 -0.768 . . . . 0.0 110.677 169.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -96.64 13.39 28.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.666 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 107' ' ' GLU . 2.0 pt? -75.63 -19.67 59.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.726 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 71.43 -51.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.032 0.832 . . . . 0.0 111.879 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.47 114.73 16.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 32.1 p-80 -85.01 148.06 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 9.9 m170 67.29 114.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 110.455 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -84.52 -177.33 6.58 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.9 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -117.94 160.97 20.53 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.449 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.387 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.499 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 -72.59 157.45 37.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.701 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm -57.06 -34.78 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 0.23 43.98 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.738 -176.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -148.93 79.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -120.44 141.34 50.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.612 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -151.31 -134.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.53 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.27 -53.63 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.312 0.577 . . . . 0.0 109.934 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.25 87.94 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 14.5 m-20 -65.12 -69.98 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.285 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -138.83 -113.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.57 -0.93 54.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.778 0.799 . . . . 0.0 109.882 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.98 116.63 3.53 Favored Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.563 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 72.6 Cg_endo -83.12 156.13 14.9 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.84 2.36 . . . . 0.0 112.869 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.619 HG13 ' HB2' ' A' ' 91' ' ' LEU . 92.5 t -82.38 106.16 12.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.822 0.82 . . . . 0.0 111.1 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 37.1 p-80 -163.5 178.58 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.344 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.643 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 49.1 mt-30 68.74 -161.57 0.19 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.648 0.593 . . . . 0.0 110.762 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 34' ' ' GLN . 92.5 t 86.31 112.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.752 0.821 . . . . 0.0 111.814 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.6 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.549 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.412 ' OG ' HG22 ' A' ' 56' ' ' VAL . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 7' ' ' THR . 26.8 tp60 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.701 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.619 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.559 ' HG3' HD12 ' A' ' 101' ' ' LEU . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.559 HD12 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.981 ' HB ' HD21 ' A' ' 110' ' ' LEU . 17.2 m -81.76 138.39 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.5 106.84 17.52 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.524 -1.671 . . . . 0.0 109.056 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -8.24 -61.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 O-C-N 125.213 1.571 . . . . 0.0 114.513 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.72 -26.53 67.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -97.01 8.87 43.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 111.013 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.981 HD21 ' HB ' ' A' ' 105' ' ' VAL . 55.9 mt -83.78 -22.73 31.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 43.87 32.37 0.6 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.388 1.055 . . . . 0.0 111.954 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.412 ' H ' ' CD2' ' A' ' 112' ' ' HIS . 3.1 p80 -83.18 104.41 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.269 0.556 . . . . 0.0 111.503 -175.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -82.65 -17.08 45.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -80.55 141.98 34.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.413 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.16 -38.78 87.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.633 0.254 . . . . 0.0 111.008 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -155.15 -61.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.636 -178.426 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.576 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.538 HD12 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.408 HD22 ' HB ' ' A' ' 56' ' ' VAL . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.537 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.576 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 9' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.597 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.597 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.269 0.557 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.572 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 15' ' ' ARG . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.568 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 59' ' ' LYS . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.442 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.587 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD21 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.768 ' NE2' ' HA ' ' A' ' 92' ' ' ASP . 22.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.457 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.41 ' HE2' HD12 ' A' ' 50' ' ' LEU . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' HD22 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.712 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.768 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.43 HG13 ' HA2' ' A' ' 102' ' ' GLY . 24.0 m . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.456 0.646 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 100' ' ' PHE . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.521 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.621 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HB2' HD13 ' A' ' 82' ' ' ILE . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.621 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 75' ' ' GLU . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.869 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.488 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.609 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 101' ' ' LEU . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.624 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.514 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.624 HG22 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.42 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.432 HG21 HD22 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 43' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.854 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.655 HG21 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.573 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.434 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.471 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.471 HG23 ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 24.1 tp60 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.186 0.517 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG3' ' HA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.634 HG12 HD13 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD13 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.433 HG12 HG22 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HB2' HD13 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.556 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.45 ' HE1' ' HB2' ' A' ' 43' ' ' MET . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.53 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.53 HG12 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 7.9 tp-100 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.572 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 101' ' ' LEU . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD13 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 78' ' ' THR . 9.3 m120 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.403 ' HA ' HD23 ' A' ' 101' ' ' LEU . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 97' ' ' MET . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.644 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.644 HG13 ' HA2' ' A' ' 102' ' ' GLY . 5.2 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.538 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.407 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.969 0.414 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.606 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD22 HG22 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.468 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.9 OUTLIER 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.516 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.467 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 101' ' ' LEU . 16.9 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.104 0.478 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.514 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm . . . . . 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.638 0.733 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.623 ' HE2' HD12 ' A' ' 50' ' ' LEU . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 10.3 m120 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HE2' ' A' ' 47' ' ' MET . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 73' ' ' VAL . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HB2' HG13 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 101' ' ' LEU . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.442 HG22 ' HA2' ' A' ' 102' ' ' GLY . 29.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 39' ' ' ASN . 87.8 t . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.879 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' H ' ' HG3' ' A' ' 87' ' ' PRO . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG11 HD13 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG22 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HG3' ' H ' ' A' ' 69' ' ' TYR . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.597 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.499 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.553 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.691 ' HE2' HD12 ' A' ' 50' ' ' LEU . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.691 HD12 ' HE2' ' A' ' 47' ' ' MET . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.597 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 52' ' ' GLU . 32.4 m-70 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.555 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG11 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.474 HD12 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.705 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.407 HD21 ' HB2' ' A' ' 60' ' ' PHE . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD23 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.545 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.804 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.669 HD23 HD13 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 48' ' ' ASN . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.538 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.538 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' HD12 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.461 ' SD ' HG11 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 54' ' ' SER . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' HD2' HH11 ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 12' ' ' VAL . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.644 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 9' ' ' LEU . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 15' ' ' ARG . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.424 ' HB3' HG12 ' A' ' 3' ' ' ILE . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 70' ' ' TYR . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.441 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.404 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' ASN . 5.9 m120 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.615 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD11 HG11 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.551 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 12.3 mm100 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' MET . 0.3 OUTLIER -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 60' ' ' PHE . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HG2' HD13 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 48' ' ' ASN . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.407 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.552 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 43' ' ' MET . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 95' ' ' ALA . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.598 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.633 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.453 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.637 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.722 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.563 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.563 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 53' ' ' PRO . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' HE22 ' A' ' 55' ' ' GLN . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.52 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.576 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.719 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.523 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 m120 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' HD12 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.56 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.56 HG13 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.227 -0.093 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 51' ' ' LEU . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' HG22 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.507 HG22 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.461 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD3' HD12 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 17' ' ' ASP . 1.2 mp . . . . . 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.415 HG12 HG22 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HB2' HD13 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.464 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 35' ' ' VAL . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.539 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.622 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.622 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.507 HD12 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.967 0.889 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.477 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.477 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.598 ' HE2' ' HA ' ' A' ' 94' ' ' TYR . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB2' HD22 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.815 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.816 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.815 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 91' ' ' LEU . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.598 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.569 ' HG3' HD23 ' A' ' 101' ' ' LEU . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.569 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.499 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.893 0.377 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.701 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.665 0.745 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.6 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.549 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.412 ' OG ' HG22 ' A' ' 56' ' ' VAL . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 7' ' ' THR . 3.9 tp-100 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.701 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.559 ' HG3' HD12 ' A' ' 101' ' ' LEU . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.559 HD12 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.517 HG13 ' HA2' ' A' ' 102' ' ' GLY . 17.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 104' ' ' PHE . 95.8 mt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.3 122.39 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.1 tt -94.71 -12.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.26 -7.74 39.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 -122.7 11.8 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.53 127.03 33.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.131 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.576 HG22 ' CB ' ' A' ' 55' ' ' GLN . 51.2 p -123.0 -21.52 5.46 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -116.34 160.21 20.82 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -168.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 56' ' ' VAL . 4.7 mp -121.31 19.39 11.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.072 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.5 tp60 -50.46 -50.55 70.98 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.9 Cg_exo -60.82 -26.28 82.77 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.067 1.845 . . . . 0.0 112.566 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.31 -48.67 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 83' ' ' ARG . 6.2 m95 -62.5 -37.74 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.44 -54.36 27.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.262 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 96' ' ' ALA . 59.0 ttt180 -68.51 -49.7 57.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.417 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.08 -47.01 82.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.681 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.34 -21.68 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -61.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.306 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.538 HD12 ' HD3' ' A' ' 89' ' ' ARG . 29.4 mm -54.59 -33.84 28.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.068 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -89.44 -31.73 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.68 70.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.32 0.581 . . . . 0.0 109.642 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.05 142.5 50.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.095 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -118.45 178.43 4.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.046 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -129.78 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -163.6 142.56 8.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.111 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.77 124.29 49.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 110.012 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -125.14 33.05 5.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.423 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 64.51 41.31 5.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.283 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 p -77.49 136.86 63.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.469 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.9 101.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.583 2.188 . . . . 0.0 112.884 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' VAL . 57.5 t -111.7 113.35 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.631 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.92 155.01 41.95 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.029 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.95 111.34 13.71 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.5 t -74.96 93.63 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.562 0.696 . . . . 0.0 110.68 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -91.43 167.69 12.09 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.837 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.7 t80 -56.75 -35.68 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.703 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -66.79 -32.8 74.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.108 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -30.55 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.335 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 37' ' ' TYR . 3.3 mm? -56.82 -55.18 37.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.359 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.57 74.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.638 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -57.67 -56.32 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.643 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -73.59 -35.02 65.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.48 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.19 -38.24 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 0.0 110.803 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.36 -52.88 50.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.962 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 11.3 pt-20 -70.81 -29.84 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -62.68 -42.32 99.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.8 -179.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -67.75 -45.36 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.586 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -72.43 -3.36 23.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.696 -174.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 74.9 mt -92.45 -23.77 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.067 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.408 HD22 ' HB ' ' A' ' 56' ' ' VAL . 80.4 mt -103.33 -20.33 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 5.3 mm-40 -55.78 -42.58 96.82 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 73.1 Cg_endo -75.71 13.66 1.15 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.77 1.647 . . . . 0.0 113.904 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.537 ' HB3' HG12 ' A' ' 3' ' ' ILE . 77.1 p -124.77 -172.06 2.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.24 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' CB ' HG22 ' A' ' 7' ' ' THR . 2.4 mp0 -85.36 -14.73 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.074 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 9' ' ' LEU . 22.6 t -77.41 74.2 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.793 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -87.04 79.72 8.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.589 0.709 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' A' ' 56' ' ' VAL . 83.7 mt -90.34 134.93 34.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.415 174.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -110.95 106.09 15.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -80.72 129.34 34.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.675 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 7.7 mm-40 -118.31 133.91 55.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 tp -98.62 117.49 33.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -131.56 129.38 40.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.484 0.659 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 9.7 p-10 -98.75 141.63 31.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.576 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 21.3 ptmt -146.98 123.67 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.724 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 61.0 -83.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.659 0.6 . . . . 0.0 111.71 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -126.44 -11.95 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.222 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -111.06 167.52 10.19 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 110.954 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -148.1 103.3 3.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 49.3 p90 -111.43 166.23 11.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.054 0.454 . . . . 0.0 111.449 -171.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -105.87 115.53 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.015 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.1 ptpt -97.8 133.06 42.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.713 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 58' ' ' LEU . 53.1 t -90.82 114.94 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.381 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 81' ' ' VAL . 71.1 mt -101.28 121.85 52.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.987 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 82' ' ' ILE . 27.7 tt0 -80.29 119.43 23.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.28 -33.99 73.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -69.7 -22.05 63.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 2.8 p -118.44 -18.68 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER 71.96 16.79 5.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.891 0.476 . . . . 0.0 111.992 177.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.32 161.63 23.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 111.503 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 74' ' ' ILE . 40.4 t -78.66 117.7 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.223 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 75' ' ' GLU . 27.4 pt -100.33 -14.41 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.89 0.376 . . . . 0.0 111.562 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 7.1 tpt180 -158.52 132.87 8.0 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -119.63 118.31 30.63 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 4.7 mp -113.52 115.35 46.95 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.74 0.305 . . . . 0.0 110.537 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 35.2 Cg_endo -65.64 151.15 85.46 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 111.431 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' TYR . 18.0 Cg_endo -56.71 -30.99 86.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.118 2.545 . . . . 0.0 112.511 -175.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -82.06 3.63 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.988 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.538 ' HD3' HD12 ' A' ' 20' ' ' ILE . 40.1 mtt180 -126.78 -2.32 6.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 109.976 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -65.95 -31.09 71.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.78 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.9 mt -62.87 -39.48 94.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.84 -45.24 62.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.428 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -59.41 -42.25 91.34 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.454 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -53.45 -53.19 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.385 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.15 82.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . . . -51.24 -49.5 60.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.84 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.6 ttp -81.42 -28.16 34.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.7 m -64.35 -44.89 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.336 -0.227 . . . . 0.0 111.479 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -57.12 -43.79 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.84 174.404 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.93 -56.96 11.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.721 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 80.0 mt -68.2 -36.62 79.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.407 0.146 . . . . 0.0 111.38 -175.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.597 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -70.08 -13.48 69.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.296 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 60.4 mt -75.87 -24.54 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.129 0.49 . . . . 0.0 110.258 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 1' ' ' LEU . 88.4 m-85 -90.34 -50.06 6.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.783 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.597 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 3.4 m -71.17 157.1 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 121.353 0.597 . . . . 0.0 112.12 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.01 104.08 2.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.893 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 31.4 tt0 -60.44 50.42 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.499 -1.682 . . . . 0.0 112.648 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -150.1 -43.74 0.13 Allowed 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -74.54 -8.25 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.898 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 111' ' ' GLU . 2.3 pp -64.37 -39.25 93.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.337 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.704 ' N ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 27.79 44.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.012 1.325 . . . . 0.0 114.179 -179.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.489 ' HD2' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -106.08 81.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.127 0.965 . . . . 0.0 109.546 175.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -90.64 99.77 12.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.824 -170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -94.57 95.21 8.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.139 171.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -80.12 88.84 5.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.448 -171.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -152.66 81.19 1.23 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.977 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.668 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.971 0.415 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 65.95 95.72 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.641 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 13.0 tt -72.19 -11.59 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.922 0.868 . . . . 0.0 108.949 174.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 2.1 mp0 -66.79 -4.68 9.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.676 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 mtm105 -105.29 -3.57 22.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.37 102.56 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.362 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -100.12 -44.18 6.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.127 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -122.66 147.21 46.71 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.696 0.284 . . . . 0.0 111.533 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 56' ' ' VAL . 4.5 mm? -88.4 26.24 1.49 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.023 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.572 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -54.52 -50.03 87.62 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -175.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 37.3 Cg_exo -61.56 -31.07 87.05 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.884 1.723 . . . . 0.0 112.499 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG21 HD12 ' A' ' 9' ' ' LEU . 67.5 t -73.54 -42.64 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.398 -177.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 0.0 110.928 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.93 -39.9 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.559 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HA ' HG22 ' A' ' 18' ' ' THR . 36.5 ttt85 -70.54 -33.8 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 88.8 t80 -62.61 -49.11 76.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 176.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 19.9 t70 -59.35 -50.22 74.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 9.5 t -68.03 -35.44 78.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.673 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -65.65 -38.07 88.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.327 0.584 . . . . 0.0 109.867 177.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mm -56.02 -22.4 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.799 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.542 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 42.2 m-70 -71.42 -33.22 69.24 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 109.95 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -82.17 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.785 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.53 1.22 2.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.27 101.8 4.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.999 0.428 . . . . 0.0 111.703 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -149.35 128.73 12.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -141.43 103.58 4.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.708 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.731 ' HB3' HG12 ' A' ' 30' ' ' VAL . 12.3 t70 -107.14 153.26 22.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -68.04 -15.32 63.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.719 0.295 . . . . 0.0 111.368 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.78 5.57 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG12 ' HB3' ' A' ' 27' ' ' ASP . 5.4 p -150.04 109.57 3.26 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-O 122.016 0.913 . . . . 0.0 111.692 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.92 89.52 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.85 2.366 . . . . 0.0 112.269 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 t -86.05 58.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.455 0.645 . . . . 0.0 109.797 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.68 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.868 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 65.17 32.7 9.94 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 110.631 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 91' ' ' LEU . 35.0 t -79.56 95.89 2.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.978 -176.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 t -97.59 173.48 7.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -52.52 -41.52 63.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.751 0.31 . . . . 0.0 111.386 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.2 m -57.02 -39.19 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.48 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.536 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.4 mm? -58.04 -49.84 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.714 0.292 . . . . 0.0 110.424 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.82 96.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.57 -48.06 78.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.568 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 68.6 mtt -64.84 -36.3 83.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.502 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' LEU . 45.5 t -55.57 -42.86 70.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.713 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.31 -49.31 33.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.641 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 10.7 pt-20 -70.34 -34.25 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.5 mmt -62.66 -39.92 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.778 0.323 . . . . 0.0 110.363 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.73 -37.32 86.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.649 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 70.7 tttt -76.71 -30.36 56.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.412 -173.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 89.4 mt -72.04 -18.27 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.912 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.33 17.49 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.952 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -55.14 -55.13 42.63 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.235 -178.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 85.8 Cg_endo -91.66 20.77 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.095 1.863 . . . . 0.0 113.605 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.5 p -87.19 176.64 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.781 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -108.09 12.67 26.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.979 0.419 . . . . 0.0 110.167 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 9' ' ' LEU . 36.0 t -80.63 -50.48 17.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.55 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.94 70.02 0.66 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.505 0.669 . . . . 0.0 109.482 -169.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -111.7 125.33 53.86 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.715 -177.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 59' ' ' LYS . 19.4 mtmt -105.49 156.12 18.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.138 0.494 . . . . 0.0 111.37 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 94.2 m-85 -133.61 115.51 14.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.277 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.21 136.28 53.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.484 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 70' ' ' TYR . 52.7 tp -82.01 123.18 28.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.421 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.38 137.56 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.127 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.3 p-10 -107.05 154.19 21.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.038 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -140.86 95.97 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.875 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 66.51 -74.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.525 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -127.77 -12.61 5.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.079 0.466 . . . . 0.0 110.611 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -97.89 103.6 15.55 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.089 0.471 . . . . 0.0 111.315 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 2.8 p90 -93.86 106.01 18.0 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.115 171.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 36.1 p90 -122.97 175.69 6.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.868 -170.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 45.5 t -107.43 129.12 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.235 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.39 121.77 35.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.273 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 58' ' ' LEU . 67.5 t -82.45 113.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.442 HG12 HG22 ' A' ' 81' ' ' VAL . 68.9 mt -122.93 121.68 63.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.014 -174.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.0 tm-20 -79.13 126.87 31.29 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.21 -36.0 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -168.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -63.46 -50.24 70.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.102 0.477 . . . . 0.0 110.618 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 p -80.73 -24.49 38.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.877 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 71.17 15.5 6.47 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.414 0.686 . . . . 0.0 111.085 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.01 160.31 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.675 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 74' ' ' ILE . 41.2 t -78.87 100.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 75' ' ' GLU . 43.1 pt -83.92 -18.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.573 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 2.9 tpt180 -155.11 138.96 16.24 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.99 122.01 38.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 63.3 mt -122.85 114.73 29.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -175.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 61.5 Cg_endo -70.48 160.05 50.79 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.911 2.407 . . . . 0.0 111.739 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.4 Cg_endo -55.09 -32.51 79.93 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.88 2.387 . . . . 0.0 112.7 -178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -4.02 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.488 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 15.9 mmt85 -125.33 -10.19 6.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.109 0.481 . . . . 0.0 110.788 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -69.81 -31.24 69.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.708 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 35' ' ' VAL . 98.0 mt -60.18 -42.71 95.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.795 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.64 -39.19 93.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.44 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -68.76 -47.09 67.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.44 -39.58 91.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.574 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.17 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.15 85.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.33 -41.55 63.37 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -66.63 -33.11 74.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.008 -0.433 . . . . 0.0 111.194 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -74.98 -28.69 60.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.66 175.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -81.81 -57.86 3.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.435 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 3' ' ' ILE . 3.2 mm? -74.83 -29.25 61.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.26 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.587 ' O ' HG22 ' A' ' 105' ' ' VAL . . . -72.64 -8.92 73.35 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.053 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 49.9 mt -86.65 -10.86 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.415 . . . . 0.0 110.295 171.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 59.7 m-85 -102.46 -7.24 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 102' ' ' GLY . 18.9 m -69.24 142.86 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -91.25 76.81 5.98 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.306 -174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' HD22 ' A' ' 110' ' ' LEU . 12.4 tp10 63.56 -75.04 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.704 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.76 -32.92 67.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . 74.3 mmtt -85.83 16.22 4.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' A' ' 114' ' ' HIS . 1.3 pt? -72.24 -24.92 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.766 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' H ' HD23 ' A' ' 110' ' ' LEU . 27.8 tt0 68.11 -50.32 0.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.347 1.059 . . . . 0.0 112.167 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -75.99 163.31 27.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.309 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -80.56 105.34 11.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.605 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 7.1 t-160 -72.83 108.15 5.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -71.98 -48.53 44.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.592 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -126.88 119.48 26.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.934 176.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t30 51.37 89.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.779 0.674 . . . . 0.0 112.127 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 tt -54.55 -27.24 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.203 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.9 tm-20 -58.26 -18.77 29.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.993 0.517 . . . . 0.0 111.665 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -130.72 23.16 5.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.306 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.23 -55.9 28.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.796 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 55' ' ' GLN . 8.8 t 42.33 46.72 4.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.509 1.124 . . . . 0.0 113.556 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -171.24 139.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.005 0.431 . . . . 0.0 111.164 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD21 ' A' ' 51' ' ' LEU . 77.6 mt -129.17 19.86 5.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.298 175.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.0 tp60 -55.84 -49.26 93.96 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.163 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -60.79 -22.64 74.25 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.793 1.662 . . . . 0.0 112.509 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.59 -42.13 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -65.01 -28.26 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.027 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.47 -50.97 40.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 15' ' ' ARG . 51.8 mtt180 -63.53 -31.9 73.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.34 -38.63 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.226 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.671 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 30.8 t70 -78.22 -53.43 7.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.6 p -50.83 -43.97 59.22 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.768 ' NE2' ' HA ' ' A' ' 92' ' ' ASP . 22.0 tt0 -72.1 -36.43 69.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.893 0.377 . . . . 0.0 111.263 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.8 -24.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.982 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.671 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 19.4 m-70 -98.32 1.61 47.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.143 0.497 . . . . 0.0 110.582 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -103.49 -67.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.644 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 55.35 36.63 27.48 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.417 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -86.65 34.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.948 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.95 -82.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -128.35 149.18 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 -171.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -120.95 -87.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.755 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -148.2 -75.62 0.18 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.417 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -87.37 -19.89 27.5 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.267 0.556 . . . . 0.0 111.631 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.47 124.25 82.05 Favored Pre-proline 0 C--N 1.311 -1.103 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.218 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HG2' ' HE2' ' A' ' 94' ' ' TYR . 63.2 Cg_endo -80.1 94.94 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.611 2.207 . . . . 0.0 112.201 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -100.95 110.6 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.463 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -146.96 163.31 36.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.451 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.63 121.72 17.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.136 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.94 124.52 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 7.1 t -116.52 -178.47 3.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.476 175.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -58.86 -48.49 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 0.0 110.774 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 1.1 p -62.13 -37.15 84.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.851 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -65.92 -40.22 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -179.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 71.8 mt -54.7 -49.39 70.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.561 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.24 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.35 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' THR . 7.7 mm-40 -66.96 -53.55 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.45 -38.36 89.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.031 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' LEU . 46.6 t -54.67 -39.12 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.594 0.235 . . . . 0.0 111.037 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.67 51.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.7 pt-20 -70.47 -29.69 66.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.717 -0.284 . . . . 0.0 111.431 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.41 ' HE2' HD12 ' A' ' 50' ' ' LEU . 6.6 mmt -62.79 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.593 0.235 . . . . 0.0 110.843 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.52 -42.48 99.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.043 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.61 -3.4 21.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.884 -175.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' HD22 ' A' ' 101' ' ' LEU . 59.7 mt -88.34 -25.79 22.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.688 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 58' ' ' LEU . 82.6 mt -111.55 -13.05 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.688 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 3.9 mm-40 -56.47 -48.28 97.36 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 174.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 3.2 Cg_exo -82.84 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.371 2.048 . . . . 0.0 112.703 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 43.5 p -131.88 -176.11 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.364 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 6.1 tp60 -72.32 -41.21 66.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.339 0.59 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.5 m -98.4 105.67 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.877 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -91.6 82.24 5.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.278 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 51' ' ' LEU . 3.7 mm? -71.58 119.87 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.932 0.396 . . . . 0.0 110.238 177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -93.8 105.65 17.67 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.702 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -88.43 117.05 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.781 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -119.37 136.32 54.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.403 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 70' ' ' TYR . 66.3 tp -87.62 126.64 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.123 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -135.13 135.17 40.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.7 p-10 -113.75 163.69 14.7 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.537 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.712 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 62.7 pttt -140.52 -150.91 0.34 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt -49.33 -68.3 0.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.413 0.446 . . . . 0.0 111.761 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -112.86 -27.61 8.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 70.8 mm-40 -100.82 152.37 20.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.05 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 4.7 p90 -138.36 114.21 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.088 173.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 50.3 p90 -125.97 166.63 16.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.269 0.557 . . . . 0.0 111.71 -169.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.4 t -109.5 132.44 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.516 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -111.36 143.81 41.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.707 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' LEU . 23.6 t -96.25 113.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.41 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.1 mt -111.08 111.69 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.284 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HA ' HD13 ' A' ' 58' ' ' LEU . 10.4 tp10 -67.55 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.543 177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.05 -31.85 34.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.839 0.352 . . . . 0.0 110.764 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -66.44 -45.34 80.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.672 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.6 p -94.34 -24.62 17.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 66.73 20.06 10.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.41 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -106.02 168.22 9.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.469 . . . . 0.0 110.071 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -91.29 109.15 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 pt -90.5 -13.11 9.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.663 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -167.05 141.21 3.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.162 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -122.21 113.13 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.3 mp -104.13 115.73 62.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.08 155.57 69.05 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.476 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.84 -33.17 87.58 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.05 2.5 . . . . 0.0 113.245 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -88.66 9.25 24.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.606 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -122.36 -5.31 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 109.232 171.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -61.93 -36.8 82.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.537 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.77 -32.28 73.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.57 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.768 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 27.9 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.0 109.981 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -66.56 -45.25 79.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.044 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' HE2' ' HG2' ' A' ' 31' ' ' PRO . 60.3 t80 -59.7 -43.04 94.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.107 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.19 86.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.16 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.695 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mtp -65.97 -42.8 89.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.616 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -65.72 -38.77 90.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.711 0.291 . . . . 0.0 110.952 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.28 -39.79 91.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.188 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -82.5 -57.39 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.228 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.2 mp -78.56 -19.28 53.17 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 122.233 -0.292 . . . . 0.0 111.773 -173.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.01 9.17 40.09 Favored Glycine 0 C--O 1.227 -0.302 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.58 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.52 -18.86 23.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.003 0.43 . . . . 0.0 110.207 172.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 101' ' ' LEU . 48.1 m-85 -94.68 14.15 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HB ' HD21 ' A' ' 110' ' ' LEU . 24.0 m -80.34 137.0 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 122.048 0.928 . . . . 0.0 112.533 -176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.57 117.81 33.34 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.524 -1.671 . . . . 0.0 107.631 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 1.9 mp0 -20.76 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.297 -1.774 . . . . 0.0 114.478 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -79.95 -6.34 57.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.41 8.11 27.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.15 0.5 . . . . 0.0 110.101 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 105' ' ' VAL . 70.2 mt -71.74 -69.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.536 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.32 30.58 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.267 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 110' ' ' LEU . 23.4 m-70 -102.63 140.47 36.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -55.84 122.33 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.506 -169.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 63.6 t60 66.68 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.607 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 177.9 90.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -104.36 35.19 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.0 110.279 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.33 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.432 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 mm? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.1 t30 62.25 115.81 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.795 0.838 . . . . 0.0 111.897 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 54' ' ' SER . 12.7 tt -68.29 -18.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.576 -174.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.47 -15.1 60.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.64 10.17 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.525 0.679 . . . . 0.0 109.65 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 100' ' ' PHE . 41.2 tp -92.04 138.55 31.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.69 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.5 p -124.36 -46.03 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -106.51 157.74 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 111.598 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 12.0 tp -112.09 11.2 20.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.544 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -54.05 -44.42 98.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.64 -177.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HB2' ' CE1' ' A' ' 100' ' ' PHE . 54.2 Cg_exo -55.25 -22.7 33.87 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.078 1.852 . . . . 0.0 113.156 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 93.8 t -79.08 -43.41 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.711 0.291 . . . . 0.0 110.64 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -62.86 -30.19 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.277 0.56 . . . . 0.0 109.816 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.34 -47.84 77.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.039 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 13.3 mmt180 -55.13 -46.91 75.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.26 174.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -57.01 -55.21 37.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.926 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.018 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.5 m -59.11 -23.34 62.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 38.7 mt-30 -92.6 -51.98 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.406 0.622 . . . . 0.0 110.308 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.68 -40.69 85.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.769 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -10.26 38.04 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.75 -18.25 41.38 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 56.3 37.7 29.08 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.473 0.654 . . . . 0.0 110.614 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -127.56 122.93 34.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.197 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.05 138.03 39.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -143.32 134.29 25.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.422 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -135.44 8.5 3.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.122 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.18 -47.18 68.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.912 -172.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -132.55 86.54 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.367 0.603 . . . . 0.0 109.902 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 32' ' ' VAL . 7.1 p -150.69 144.58 17.44 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.156 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 30' ' ' VAL . 55.4 Cg_endo -74.47 22.19 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.287 1.991 . . . . 0.0 112.616 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 30' ' ' VAL . 43.4 t 45.21 -92.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 113.465 -1.698 . . . . 0.0 113.556 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 1.6 m-70 65.12 89.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.934 0.771 . . . . 0.0 109.79 -169.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -58.93 107.35 0.52 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.33 139.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.17 -172.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.1 t -157.65 165.74 34.66 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -60.03 -33.45 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.9 m -66.18 -55.15 17.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.365 174.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -39.62 82.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.674 -173.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.2 mt -59.38 -49.36 78.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.402 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.23 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' THR . 28.0 mm-40 -68.24 -45.64 72.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.889 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 73.7 mtm -68.82 -35.29 76.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.1 t -64.54 -39.12 84.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.59 82.41 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.705 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.8 pt-20 -65.24 -31.33 72.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.906 0.353 . . . . 0.0 110.829 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' MET . 21.1 mmt -63.83 -44.41 93.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.43 175.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 25.4 m-80 -63.61 -22.35 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.97 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.83 -46.42 24.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 77.0 mt -63.16 -46.33 87.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.649 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.02 16.25 26.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -166.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 7.7 mm-40 -55.75 -53.16 65.84 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.192 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.22 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.426 2.084 . . . . 0.0 112.84 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.521 ' HB2' HG12 ' A' ' 3' ' ' ILE . 8.1 t -105.04 165.48 11.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.992 0.425 . . . . 0.0 110.667 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 2.0 mp0 -83.83 -4.12 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 89.61 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.156 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 75.6 m-70 -86.91 69.3 10.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.887 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -118.99 122.09 41.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.49 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -100.98 125.22 47.56 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.249 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -111.45 126.07 54.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.853 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 39.2 mt-10 -130.94 141.13 50.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 111.04 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.26 97.77 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 29.8 m-70 -118.62 111.64 18.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.205 0.526 . . . . 0.0 110.883 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 3.5 p30 -79.09 145.95 33.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.723 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.74 -33.19 16.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.389 0.614 . . . . 0.0 109.64 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tt -177.21 -67.0 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.455 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.29 -38.39 4.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.515 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.25 107.18 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.721 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 3.4 p90 -105.86 119.19 38.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.755 172.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -138.9 167.55 21.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.919 0.39 . . . . 0.0 110.919 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.25 122.84 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.417 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 63' ' ' HIS . 47.3 mtpt -87.76 122.0 30.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.627 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.27 112.63 24.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.621 HG12 HG22 ' A' ' 81' ' ' VAL . 58.1 mt -114.34 111.54 36.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HB2' HD13 ' A' ' 82' ' ' ILE . 18.4 tt0 -77.37 115.65 17.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 25.9 t70 -66.29 -32.26 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.694 -171.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -63.9 -35.36 80.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 p -94.01 -24.0 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.682 0.277 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 70.09 33.17 2.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.185 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.52 162.39 34.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.408 . . . . 0.0 110.684 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.621 HG22 HG12 ' A' ' 74' ' ' ILE . 46.1 t -79.98 113.85 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 75' ' ' GLU . 17.6 pt -85.84 -34.93 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.522 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -154.32 150.45 27.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.602 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -105.0 141.33 36.76 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mm -116.96 109.34 43.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.869 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 49.6 Cg_endo -65.84 153.49 77.91 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.726 2.284 . . . . 0.0 111.854 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.19 -45.02 43.61 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.407 2.738 . . . . 0.0 113.85 -172.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -87.47 4.33 43.79 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.9 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 15.3 mmt85 -109.37 -2.87 17.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.779 0.799 . . . . 0.0 108.988 171.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -72.11 -27.65 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.839 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.996 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -68.8 -29.29 67.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -71.3 -43.0 67.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.267 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -64.76 -44.12 91.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.34 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.061 0.458 . . . . 0.0 110.821 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.95 74.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.373 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.488 ' HB3' HD23 ' A' ' 101' ' ' LEU . 91.2 mtp -75.76 -32.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -65.75 -31.22 72.08 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.528 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.609 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.1 mt-10 -75.3 -52.61 10.43 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 170.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 101' ' ' LEU . 74.5 t80 -55.21 -57.66 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.354 -174.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 97' ' ' MET . 3.0 mm? -78.56 -33.62 47.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.919 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.624 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -69.07 -22.75 76.09 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.184 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.7 mt -70.92 -20.47 62.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.537 172.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 21.3 m-85 -102.99 0.35 32.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.652 -174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.624 HG22 ' HA2' ' A' ' 102' ' ' GLY . 33.9 m -107.54 168.52 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -114.16 82.71 1.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.657 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 5.0 tp10 53.67 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 164.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 108' ' ' LYS . 20.5 mtpt -72.47 -10.44 59.79 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.528 -0.732 . . . . 0.0 111.055 -175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -83.75 5.54 24.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.55 0.69 . . . . 0.0 109.217 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 24.6 mt -100.09 -2.44 34.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.516 174.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 62.07 -6.53 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.02 49.61 1.67 Allowed 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.109 -0.994 . . . . 0.0 111.492 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 61.0 -102.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.785 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -137.81 -43.36 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -154.57 161.7 41.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.941 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -122.3 169.28 11.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.734 0.302 . . . . 0.0 110.197 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.319 -0.752 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -118.73 118.62 32.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 53' ' ' PRO . 14.5 tt -73.0 -28.18 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.964 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.45 1.04 17.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.681 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -134.18 10.35 3.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.265 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 8' ' ' THR . 46.3 tp -62.66 -63.55 1.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.532 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.42 ' HB ' ' CB ' ' A' ' 55' ' ' GLN . 11.7 t 49.76 23.25 0.96 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.629 1.172 . . . . 0.0 113.928 177.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -162.14 135.83 6.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.978 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 58' ' ' LEU . 33.3 mt -107.88 26.36 10.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.208 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 24.2 tp60 -53.5 -48.46 92.8 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.12 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.4 Cg_exo -58.6 -29.93 90.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 121.901 1.734 . . . . 0.0 112.188 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.432 HG21 HD22 ' A' ' 9' ' ' LEU . 60.6 t -74.49 -46.16 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.165 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -63.26 -35.07 79.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.414 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.37 -45.5 88.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 45.1 mtt180 -65.04 -38.65 91.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.114 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.74 -43.62 98.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.893 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 2.8 m-20 -69.76 -40.2 76.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.166 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -75.9 -39.76 55.7 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.791 HE22 ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -59.47 -36.04 75.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 109.997 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' NH1' ' A' ' 89' ' ' ARG . 2.6 mt -54.04 -21.63 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.853 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.7 m-70 -79.19 -10.19 59.76 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.973 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -125.8 -76.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.936 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.791 ' HA ' HE22 ' A' ' 19' ' ' GLN . 39.6 mt-30 59.02 33.12 22.82 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.663 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -119.98 118.89 31.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.801 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' HB2' HG22 ' A' ' 30' ' ' VAL . 3.9 p-10 -82.13 -31.69 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 64.58 74.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.818 172.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 71.82 -24.28 0.18 Allowed 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 161.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.48 5.99 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -167.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.17 70.73 0.63 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 30.4 m -104.63 171.32 5.11 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 13.3 Cg_endo -58.75 100.91 0.12 Allowed 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 121.869 1.713 . . . . 0.0 111.415 171.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.6 p -156.43 154.1 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.933 -174.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 16.8 m-70 76.55 -68.95 0.17 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.155 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.18 85.68 5.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.365 0.602 . . . . 0.0 111.625 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.71 113.68 39.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.862 173.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -103.36 179.01 4.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.887 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.84 -35.94 64.51 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.52 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 2.8 p -62.0 -48.51 79.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.305 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.92 -32.3 73.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.444 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -58.21 -55.29 36.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 174.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.78 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.963 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 50.4 mm-40 -58.72 -55.88 29.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.426 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' ' HG2' ' A' ' 47' ' ' MET . 40.6 mtp -79.09 -31.46 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.479 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.75 -36.35 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.72 -38.66 95.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.899 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.51 -31.33 62.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.551 0.215 . . . . 0.0 110.432 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 43' ' ' MET . 91.3 mmm -63.93 -40.62 96.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.767 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.24 -34.02 76.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.6 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -86.36 7.9 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.846 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 91.6 mt -89.34 -23.81 22.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.868 0.365 . . . . 0.0 110.453 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 9' ' ' LEU . 95.7 mt -108.45 5.17 25.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 -177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -54.37 40.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.7 Cg_endo -90.39 19.45 1.17 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.954 1.769 . . . . 0.0 113.215 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -104.23 -168.54 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.322 0.582 . . . . 0.0 111.369 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' CB ' ' HB ' ' A' ' 7' ' ' THR . 5.5 mm100 -104.29 -2.16 25.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.59 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG11 ' HG ' ' A' ' 9' ' ' LEU . 22.1 t -88.86 114.58 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.312 -172.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -105.44 78.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.141 0.496 . . . . 0.0 110.647 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD12 HD12 ' A' ' 9' ' ' LEU . 50.1 mt -112.56 126.52 55.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -105.49 134.01 49.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.148 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -112.61 130.86 55.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.437 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.854 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 49.5 mt-10 -118.03 154.96 31.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -109.48 96.23 6.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -103.85 126.91 51.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.582 0.706 . . . . 0.0 111.303 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.81 153.75 18.68 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.289 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -118.71 -85.35 0.65 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.632 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.5 tp -112.69 -67.93 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -119.92 -5.24 10.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.365 1.079 . . . . 0.0 108.096 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -94.53 158.42 15.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.326 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -155.25 130.24 9.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -145.97 174.18 11.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.032 0.444 . . . . 0.0 111.552 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 59.6 t -87.44 126.25 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.002 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 26.1 tptt -98.02 102.99 14.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.252 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.62 113.48 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.996 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.11 125.52 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.482 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -84.59 128.77 34.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.88 -32.6 72.04 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.2 m -71.96 -52.96 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.83 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 p -87.76 -17.56 31.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 61.92 23.9 14.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.012 0.525 . . . . 0.0 111.533 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.7 168.43 10.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.129 0.49 . . . . 0.0 110.915 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.655 HG21 ' HE3' ' A' ' 72' ' ' LYS . 18.6 t -87.37 109.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.21 -5.06 10.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.41 135.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.613 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -112.04 111.91 23.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 71' ' ' VAL . 61.0 mt -107.75 114.3 60.43 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.394 -172.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HG2' ' CB ' ' A' ' 89' ' ' ARG . 90.1 Cg_endo -71.93 155.39 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.889 2.393 . . . . 0.0 111.335 175.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.35 -37.39 97.05 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.521 2.147 . . . . 0.0 112.459 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -76.93 3.73 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.564 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.573 ' CB ' ' HG2' ' A' ' 86' ' ' PRO . 16.1 tpp180 -127.25 -0.17 6.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.826 0.822 . . . . 0.0 108.994 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 47' ' ' MET . 38.8 t-105 -70.33 -28.45 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.365 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.37 -36.87 83.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.4 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -72.54 -39.9 67.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.894 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.04 -45.88 91.6 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.044 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.79 92.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.26 77.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.157 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.434 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 67.4 mmm -66.46 -47.21 73.84 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.876 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.9 p -63.15 -33.24 75.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.0 -50.03 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.771 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 58.6 t80 -73.96 -47.61 36.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.62 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HA ' ' HD2' ' A' ' 104' ' ' PHE . 4.1 mm? -79.55 -33.07 42.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.702 0.287 . . . . 0.0 110.893 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.471 ' HA2' HG23 ' A' ' 105' ' ' VAL . . . -69.32 -15.87 70.67 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.11 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 100' ' ' PHE . 4.1 pp -88.25 -1.76 58.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.996 0.427 . . . . 0.0 110.958 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 68.9 m-85 -94.2 -47.7 6.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 171.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.671 ' HB ' HD23 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.42 99.21 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.582 178.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.527 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 30.6 t70 -75.96 83.01 2.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.901 -171.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 10.9 tp10 50.46 -85.49 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -65.78 -20.37 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.6 -0.687 . . . . 0.0 110.308 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -85.12 -3.87 58.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.025 178.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.671 HD23 ' HB ' ' A' ' 105' ' ' VAL . 37.4 mt -68.97 -41.41 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.96 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 71.47 -3.7 2.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.599 -173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -78.25 136.96 37.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -55.52 -63.27 1.22 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 111.564 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -139.85 95.07 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -112.68 83.49 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -163.15 84.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.472 171.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.138 -177.671 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 103' ' ' LEU . 8.1 mp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.723 0.296 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.78 111.85 8.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 17.8 tt -91.9 -23.2 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -71.05 -0.5 9.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.54 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 30.8 mtm180 -114.48 -5.71 12.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 54' ' ' SER . 46.8 tp -68.36 99.09 0.89 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.12 -176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 6.7 m -105.34 -18.85 13.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.077 0.465 . . . . 0.0 110.966 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -132.33 150.75 52.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 mt -102.08 23.18 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.217 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.5 tp60 -51.26 -50.78 73.88 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.06 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.0 Cg_exo -59.93 -28.07 86.32 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.753 1.635 . . . . 0.0 112.271 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -72.02 -42.45 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -62.98 -43.54 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -56.43 -39.57 73.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 110.772 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 15' ' ' ARG . 16.0 ttt85 -76.16 -45.83 31.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.092 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -62.52 -43.47 98.74 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.8 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -89.01 -44.97 10.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 110.281 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HG3' ' OD2' ' A' ' 92' ' ' ASP . 24.1 tp60 -55.05 -41.58 71.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.143 0.977 . . . . 0.0 111.296 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -46.71 -28.78 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.081 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -78.51 -41.29 32.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.68 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -135.96 101.16 4.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.457 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -87.05 1.57 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.336 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -80.86 133.03 35.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.652 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -157.74 -47.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.864 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -106.53 138.53 42.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -90.63 -37.25 13.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.858 0.361 . . . . 0.0 110.974 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -68.24 -52.17 37.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -174.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -145.14 97.97 3.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.166 0.508 . . . . 0.0 110.862 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.67 157.48 27.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.331 167.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.34 97.63 0.1 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.501 2.134 . . . . 0.0 112.704 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 34' ' ' GLN . 67.2 t -89.29 -62.97 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.67 -11.91 0.8 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.159 173.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.534 ' H ' HG12 ' A' ' 32' ' ' VAL . 76.7 mt-30 59.99 75.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.237 0.541 . . . . 0.0 109.635 -174.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.91 119.35 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.437 -173.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -150.99 174.56 13.01 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -52.57 -48.52 66.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.758 0.314 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 3.3 m -55.24 -41.62 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -38.95 77.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.16 -171.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.3 mm? -58.83 -52.7 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.17 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.889 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 38' ' ' THR . 8.8 mm-40 -59.18 -53.7 55.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' MET . 3.8 mpp? -71.39 -38.54 71.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.374 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' LEU . 79.7 t -58.43 -36.04 57.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.038 0.447 . . . . 0.0 110.468 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.9 -46.88 93.21 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.648 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.3 pt-20 -75.17 -31.09 60.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.157 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' MET . 26.8 mmt -57.63 -38.53 75.15 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.493 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -75.55 -25.85 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.92 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG3' ' HA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -93.47 -7.27 44.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.698 -178.097 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 101' ' ' LEU . 63.5 mt -86.74 -21.64 26.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.514 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.79 12.53 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.623 -174.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HD3' ' A' ' 53' ' ' PRO . 12.4 pt-20 -76.63 -36.52 1.71 Allowed Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HD3' ' HG3' ' A' ' 52' ' ' GLU . 87.4 Cg_endo -79.52 0.69 9.82 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 121.713 1.609 . . . . 0.0 112.215 175.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 19.3 m -91.07 -175.47 4.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.125 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -116.68 13.97 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.086 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.634 HG12 HD13 ' A' ' 58' ' ' LEU . 37.1 t -67.88 -44.47 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 98.9 m-70 55.81 73.83 0.41 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.941 -177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD13 HG12 ' A' ' 56' ' ' VAL . 1.1 tp -120.64 149.62 42.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.183 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 76' ' ' ASP . 3.3 mmmt -120.01 147.94 44.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -128.92 125.7 38.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.69 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.26 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -101.66 106.93 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.074 0.464 . . . . 0.0 110.322 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -107.37 143.64 35.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.88 151.08 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.268 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -157.3 139.5 14.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.2 mm? 57.59 -88.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.52 . . . . 0.0 111.393 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -140.81 0.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.525 0.678 . . . . 0.0 109.932 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -98.99 146.45 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.897 -174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -127.06 114.94 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 47.9 p90 -125.82 153.37 44.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.137 -177.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.3 t -102.04 128.5 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.855 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' HG21 ' A' ' 81' ' ' VAL . 20.3 mtpp -94.32 113.87 25.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.613 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 60.5 t -84.25 114.52 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.433 HG12 HG22 ' A' ' 81' ' ' VAL . 71.7 mt -117.87 135.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.273 -174.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.544 ' HB2' HD13 ' A' ' 82' ' ' ILE . 42.8 tt0 -87.32 132.29 33.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 59' ' ' LYS . 19.4 t70 -62.92 -36.94 85.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 m -65.23 -65.36 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.618 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -72.45 -20.85 61.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.614 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.54 34.79 20.26 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.425 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -130.34 160.85 32.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.388 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.486 HG21 ' HE3' ' A' ' 72' ' ' LYS . 46.4 t -75.16 101.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 75' ' ' GLU . 35.6 pt -85.68 -11.14 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.05 0.453 . . . . 0.0 111.09 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.556 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 4.8 tpt180 -158.22 131.88 7.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -123.34 115.82 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.048 -0.408 . . . . 0.0 109.963 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.38 120.11 37.02 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.379 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 156.52 57.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.527 2.151 . . . . 0.0 111.546 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 11.3 Cg_endo -54.72 -32.55 76.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.176 2.584 . . . . 0.0 113.372 -174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -75.94 -10.73 59.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.751 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -118.82 3.25 11.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.45 ' HE1' ' HB2' ' A' ' 43' ' ' MET . 59.5 t-105 -65.73 -39.31 91.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.198 0.523 . . . . 0.0 110.262 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 91' ' ' LEU . 6.4 mp -73.43 -26.11 60.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.288 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 19' ' ' GLN . 17.8 t70 -64.94 -50.66 65.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.525 0.679 . . . . 0.0 109.389 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.31 -41.28 93.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.703 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.76 -35.77 75.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -62.32 -52.63 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.17 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.1 mmm -63.36 -48.87 76.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.694 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p -70.99 -30.92 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 38.5 mt-10 -67.56 -35.4 78.96 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.232 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.99 -58.08 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.73 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 50' ' ' LEU . 4.9 mp -77.46 -12.2 59.93 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.348 -175.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.53 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -69.3 -11.58 64.66 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 1' ' ' LEU . 91.8 mt -95.08 -10.63 30.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.241 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 49.6 m-85 -98.43 -39.24 8.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.23 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.53 HG12 ' HA2' ' A' ' 102' ' ' GLY . 1.1 p -82.96 161.99 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.006 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -149.11 13.21 0.87 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.986 0.898 . . . . 0.0 109.975 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 105' ' ' VAL . 7.6 tp10 -76.9 -54.08 7.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.834 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.33 -22.24 62.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.04 0.448 . . . . 0.0 111.465 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.95 12.98 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HG ' ' H ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -77.14 -38.82 51.16 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.377 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 110' ' ' LEU . 11.3 pt-20 32.94 36.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.156 1.382 . . . . 0.0 113.922 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.58 ' H ' ' HG ' ' A' ' 110' ' ' LEU . 2.3 m-70 -132.77 143.56 49.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.203 -0.31 . . . . 0.0 111.354 -177.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 29.7 t60 65.98 18.55 11.08 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.969 0.793 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -149.73 120.95 7.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -73.02 93.67 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -75.13 -24.89 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.022 -173.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 64.86 95.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.575 0.702 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.5 tt -67.67 -20.81 26.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.624 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.23 -14.74 62.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.974 0.416 . . . . 0.0 111.359 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.08 5.2 18.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.296 0.57 . . . . 0.0 110.227 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.8 tp -73.03 99.21 2.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.109 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.611 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.4 t -121.26 24.3 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.209 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -136.7 142.72 43.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.033 0.444 . . . . 0.0 111.219 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HG ' HD22 ' A' ' 58' ' ' LEU . 1.8 mm? -113.08 5.11 16.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.881 175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 7.9 tp-100 -59.11 -49.72 91.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.881 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 49.2 Cg_exo -57.08 -26.83 70.98 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.766 1.644 . . . . 0.0 112.137 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.73 -49.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.107 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.4 m95 -61.63 -44.92 96.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.0 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.6 -49.82 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -55.7 -50.23 70.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.09 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -74.59 -11.59 60.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.5 0.667 . . . . 0.0 110.498 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 96' ' ' ALA . 49.2 mt-30 -102.97 -43.36 5.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -62.92 -18.93 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -79.3 -2.97 43.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.238 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.52 -41.49 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 41.2 mt-30 64.66 -170.05 0.19 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttm 72.8 63.02 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.922 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.36 60.59 2.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.653 170.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -75.76 90.46 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.35 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.01 143.65 26.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.888 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -95.94 -79.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.681 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -146.78 24.24 1.21 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -98.65 136.72 20.66 Favored Pre-proline 0 N--CA 1.446 -0.668 0 CA-C-O 120.948 0.404 . . . . 0.0 111.613 -173.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.0 85.06 1.82 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.401 2.068 . . . . 0.0 112.189 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.6 p -157.6 136.25 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.963 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -156.47 -36.13 0.08 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.893 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.65 122.3 47.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.9 t -113.1 132.91 60.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.84 0.352 . . . . 0.0 110.363 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.2 t -128.39 176.04 8.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.031 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.11 -55.3 28.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -62.16 -41.01 97.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.117 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -56.21 -47.27 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.795 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.55 -48.91 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.377 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.3 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.193 0.521 . . . . 0.0 111.051 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.54 -50.66 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.558 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.572 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.9 mpp? -66.74 -38.31 86.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.485 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.79 -36.86 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.949 -0.47 . . . . 0.0 109.798 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.55 98.33 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.398 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 11.9 pt-20 -74.79 -21.55 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.627 -0.337 . . . . 0.0 111.142 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' MET . 7.6 mmt -63.16 -38.76 92.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.075 0.464 . . . . 0.0 109.754 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -66.11 -40.91 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.431 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -75.92 -9.02 58.26 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.79 -176.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.36 -11.1 44.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.0 110.51 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 101' ' ' LEU . 93.7 mt -123.78 7.24 8.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.8 0.81 . . . . 0.0 108.875 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 33.8 tt0 -65.31 -49.03 66.65 Favored Pre-proline 0 N--CA 1.428 -1.558 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.87 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.8 Cg_endo -87.46 26.63 0.6 Allowed 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.956 1.771 . . . . 0.0 112.718 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' HG12 ' A' ' 3' ' ' ILE . 72.5 p -113.94 -178.87 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.29 -20.66 20.89 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.519 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.0 m -78.73 105.77 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.507 0.67 . . . . 0.0 110.879 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -98.64 65.51 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.506 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD13 ' HB ' ' A' ' 56' ' ' VAL . 10.6 mp -92.04 122.69 34.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.689 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -98.53 122.89 42.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.292 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 85.2 m-85 -94.05 127.47 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.499 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -118.44 134.78 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.18 92.66 4.84 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -105.26 129.2 53.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.37 154.96 17.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.486 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -149.51 135.83 19.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.9 mm? 51.6 -88.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -130.3 4.03 4.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.289 0.566 . . . . 0.0 110.174 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -130.9 178.98 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.413 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -160.36 157.78 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.807 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -154.21 166.08 34.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.792 0.33 . . . . 0.0 111.435 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.22 113.82 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.399 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 20.1 mtpp -88.75 133.95 34.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.883 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -102.02 112.91 36.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 81' ' ' VAL . 68.2 mt -104.48 122.82 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.627 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.26 126.12 30.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.33 -54.78 39.35 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -71.13 -45.41 63.65 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.634 -169.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 4.0 m -78.97 -22.86 45.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.601 0.239 . . . . 0.0 111.229 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 78' ' ' THR . 9.3 m120 69.01 18.43 8.39 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.912 0.485 . . . . 0.0 111.691 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.81 164.25 12.55 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.846 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 74' ' ' ILE . 39.9 t -93.43 102.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.487 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.74 -6.95 10.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 13' ' ' TRP . 4.5 tpt180 -166.47 147.9 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.29 125.31 34.44 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.55 117.65 48.59 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 72.0 Cg_endo -78.56 145.93 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.619 2.212 . . . . 0.0 111.678 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HA ' ' HB2' ' A' ' 90' ' ' TRP . 32.6 Cg_exo -60.06 -20.06 59.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.116 2.544 . . . . 0.0 112.839 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 16.0 ptmt -79.26 -0.5 32.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -134.85 21.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 87' ' ' PRO . 69.7 t-105 -71.01 -40.76 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.047 -173.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.92 -35.34 79.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 110.009 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.16 -42.22 99.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.661 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -70.52 -45.49 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.44 -39.19 86.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -59.73 -51.85 67.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.713 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . . . -54.18 -39.52 66.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.105 0.479 . . . . 0.0 111.306 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.403 ' HA ' HD23 ' A' ' 101' ' ' LEU . 82.7 mmm -64.24 -46.79 82.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.3 p -69.36 -25.12 64.02 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.728 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.694 ' HA ' ' HE1' ' A' ' 116' ' ' HIS . 52.2 mt-10 -75.36 -48.47 22.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.791 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.23 -56.39 4.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 111.566 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 97' ' ' MET . 3.4 mm? -66.83 -25.19 66.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.644 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.31 -6.89 70.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.32 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 95.8 mt -93.18 -21.66 19.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 0.0 110.113 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -103.63 13.9 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.624 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.644 HG13 ' HA2' ' A' ' 102' ' ' GLY . 5.2 m -66.58 166.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.319 -176.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.74 9.96 24.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.49 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.71 ' HA ' HD21 ' A' ' 110' ' ' LEU . 7.9 tp10 72.26 159.51 0.21 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' H ' HD11 ' A' ' 110' ' ' LEU . 84.4 mttt 69.73 -32.1 0.22 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.227 0.611 . . . . 0.0 112.451 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 107' ' ' GLU . 5.6 mptt -104.06 31.7 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.289 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.743 HD13 ' CD2' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -126.37 -36.07 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.318 -175.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' H ' HD12 ' A' ' 110' ' ' LEU . 4.9 mm-40 51.19 34.9 12.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.223 0.535 . . . . 0.0 110.926 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.743 ' CD2' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.44 106.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.748 -176.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -84.21 -17.01 41.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.537 0.684 . . . . 0.0 109.28 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -155.52 143.29 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.265 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -91.76 102.52 15.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.285 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.694 ' HE1' ' HA ' ' A' ' 99' ' ' GLU . 33.0 p80 -99.9 176.32 5.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 168.679 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -131.31 122.14 25.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 112.122 -173.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 tp -69.64 -23.17 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.722 0.772 . . . . 0.0 109.173 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 29.7 mt-10 -68.24 -12.85 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.44 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -123.02 12.91 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.239 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -57.52 -72.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.724 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.538 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . 2.6 m 69.63 -11.21 0.53 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 171.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -147.35 147.2 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.945 -0.472 . . . . 0.0 110.956 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.81 26.75 10.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.6 tp60 -52.61 -51.99 68.12 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.425 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 31.2 Cg_exo -59.74 -27.88 85.98 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.725 1.617 . . . . 0.0 112.187 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.82 -45.2 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.775 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.5 m95 -64.06 -43.96 93.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.05 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.01 -45.0 83.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.076 0.465 . . . . 0.0 110.741 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -69.09 -40.85 78.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 20' ' ' ILE . 21.4 t80 -57.35 -54.41 47.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.475 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.69 -21.53 64.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.6 m -81.33 -43.04 19.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.353 0.597 . . . . 0.0 110.007 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.11 -47.88 75.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.629 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 29.2 mt -50.88 -34.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.852 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -91.3 -5.31 54.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.182 -174.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -90.43 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.127 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 57.1 94.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.814 0.696 . . . . 0.0 112.259 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -121.8 144.47 48.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.882 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -85.04 19.49 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -124.35 129.61 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.0 110.222 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.58 51.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.022 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -82.33 -65.53 1.0 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.639 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.93 26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.944 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.34 128.5 25.95 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.345 0.593 . . . . 0.0 110.95 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.1 71.83 6.83 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.408 2.072 . . . . 0.0 112.791 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG22 ' HG ' ' A' ' 91' ' ' LEU . 13.9 p -147.07 118.88 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.081 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 p80 178.3 146.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.779 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 55.25 46.26 24.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.498 0.666 . . . . 0.0 110.274 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.9 m -85.12 -178.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -151.74 176.4 11.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.48 -42.54 23.0 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.778 0.674 . . . . 0.0 111.982 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -43.22 94.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.034 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.02 -33.33 75.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.313 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.4 mp -57.33 -51.41 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.399 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.92 79.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.914 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.24 -48.66 80.78 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 47' ' ' MET . 68.5 mtm -73.68 -30.05 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 40' ' ' LEU . 81.1 t -64.78 -40.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.14 96.41 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.569 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 10.2 pt-20 -72.02 -24.25 61.53 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.686 -0.302 . . . . 0.0 111.62 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.606 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 27.1 mmt -56.92 -40.6 76.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 109.971 173.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -69.31 -23.2 63.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.816 -178.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 46' ' ' GLU . 85.2 mttt -85.22 -35.41 21.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.71 -36.83 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.058 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.54 32.04 6.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 0.0 110.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -51.72 -51.12 73.1 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.324 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 68.4 Cg_endo -95.36 31.43 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.448 2.098 . . . . 0.0 113.084 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -84.21 150.72 25.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp-100 -68.59 -24.67 64.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.186 0.517 . . . . 0.0 110.166 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 HD22 ' A' ' 58' ' ' LEU . 13.0 p -81.67 -29.01 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.658 -171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 29.1 m170 71.98 -74.82 0.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.079 0.551 . . . . 0.0 112.208 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD22 HG22 ' A' ' 56' ' ' VAL . 1.5 mm? 61.65 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.265 1.031 . . . . 0.0 113.594 -168.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.6 mtpp -122.32 119.18 30.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.674 171.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -109.05 120.17 41.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.62 0.247 . . . . 0.0 110.867 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 33.6 mt-10 -126.22 141.13 52.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 111.798 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -96.78 104.7 16.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 17.7 m-70 -112.28 126.13 54.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.101 0.477 . . . . 0.0 110.887 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 8.8 p-10 -97.01 150.53 20.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.944 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.65 130.51 10.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.593 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tt 66.57 -78.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.114 0.566 . . . . 0.0 111.148 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -146.93 6.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 109.275 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -111.96 166.7 10.99 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.548 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.4 p90 -150.53 131.65 14.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.509 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -143.08 163.56 32.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.836 0.35 . . . . 0.0 110.999 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -103.51 121.55 55.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.55 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 81' ' ' VAL . 16.5 ptmt -110.51 135.31 51.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.335 0.588 . . . . 0.0 111.381 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.89 115.56 31.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.947 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 81' ' ' VAL . 64.7 mt -108.78 127.41 65.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.701 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 78' ' ' THR . 8.4 tp10 -75.12 121.82 22.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 25.2 t70 -69.26 -32.44 71.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.214 -171.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 t -79.99 -27.78 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 m -100.73 -16.87 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.769 0.319 . . . . 0.0 111.172 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.468 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.9 OUTLIER 72.33 20.01 4.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.908 173.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.35 163.47 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.026 0.441 . . . . 0.0 111.091 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -81.88 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.226 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 pt -105.6 -12.12 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -165.4 132.96 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -109.97 117.59 34.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 172.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -111.5 113.67 53.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.467 . . . . 0.0 111.618 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.93 154.86 43.13 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.552 2.168 . . . . 0.0 111.779 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.516 ' HB3' HD21 ' A' ' 40' ' ' LEU . 12.4 Cg_endo -55.14 -34.42 87.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.445 2.764 . . . . 0.0 113.843 -173.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 21.0 ptmt -73.18 -15.12 61.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -175.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.467 HH11 HD13 ' A' ' 20' ' ' ILE . 50.6 mtm180 -118.84 13.82 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.432 0.634 . . . . 0.0 110.314 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -71.08 -38.78 72.44 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.145 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' HG22 ' A' ' 32' ' ' VAL . 6.4 mp -60.0 -37.39 79.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.062 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.01 -52.04 65.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.2 0.524 . . . . 0.0 109.753 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' MET . 84.0 t80 -60.56 -48.44 81.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.971 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -59.31 -40.5 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.721 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.6 -51.21 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.69 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -37.88 75.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 90.8 mmm -59.93 -47.83 84.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.939 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -72.95 -27.35 61.79 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.2 mt-10 -74.7 -40.34 61.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.739 0.304 . . . . 0.0 110.614 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -83.28 -58.07 3.0 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 105' ' ' VAL . 69.9 mt -76.61 -16.13 59.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.095 -174.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.87 8.8 13.43 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.836 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -101.98 -25.14 13.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -89.94 -9.93 46.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.368 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.814 HG21 HD21 ' A' ' 110' ' ' LEU . 16.9 m -60.23 135.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.359 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 29.8 t70 -94.28 84.79 4.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.393 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 29.6 tt0 25.7 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 126.107 1.763 . . . . 0.0 115.712 172.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -67.62 -10.54 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -175.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.7 mptt -88.11 -4.37 58.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.448 . . . . 0.0 110.031 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.814 HD21 HG21 ' A' ' 105' ' ' VAL . 36.8 mt -80.97 -48.85 11.71 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.332 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.93 16.53 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.234 -177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -71.51 112.71 7.86 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.8 83.08 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 0.0 111.868 -168.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.33 -55.39 0.08 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 171.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 52.77 86.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.114 0.883 . . . . 0.0 112.216 166.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -154.95 110.36 3.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 111.0 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.822 176.607 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 1' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.269 0.557 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -98.49 129.17 45.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.514 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.0 tt -74.77 -17.09 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.231 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 54.5 mt-10 -69.49 0.05 5.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.992 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -127.99 5.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.55 115.95 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.193 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.1 t -131.45 15.97 4.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.001 0.429 . . . . 0.0 111.383 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -136.07 143.66 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.18 0.515 . . . . 0.0 111.245 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -128.06 14.35 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.8 tp60 -58.9 -45.55 99.59 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.453 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 63.8 Cg_exo -54.1 -31.02 63.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.065 1.844 . . . . 0.0 112.478 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.17 -44.06 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -66.19 -36.32 82.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.249 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.37 -40.36 70.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -68.62 -26.49 65.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.922 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' OH ' ' HB3' ' A' ' 89' ' ' ARG . 81.6 t80 -70.83 -50.43 35.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.562 175.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 20.1 t70 -56.95 -44.29 82.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.65 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 p -71.57 -31.78 67.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.087 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.63 -39.16 64.73 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.111 0.482 . . . . 0.0 110.369 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 20' ' ' ILE . 5.4 mm -53.45 -18.04 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.518 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.1 m-70 -58.0 -33.73 69.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.558 174.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -101.92 122.39 43.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.427 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -135.92 23.89 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 1.5 ttpm? -92.79 4.32 54.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.39 157.07 17.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -163.14 -67.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.119 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -108.31 83.17 1.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 0.0 109.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -138.19 -167.86 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.961 -174.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.89 28.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.171 0.51 . . . . 0.0 111.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.65 135.05 41.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.199 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 30.3 Cg_exo -61.54 112.47 1.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.674 2.25 . . . . 0.0 111.794 176.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 31' ' ' PRO . 73.5 t 74.05 121.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 O-C-N 123.931 0.769 . . . . 0.0 111.24 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' GLN . 6.5 p80 -150.76 170.56 18.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.13 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 49.3 mt-30 70.47 -70.35 0.15 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.048 0.843 . . . . 0.0 110.356 -170.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t 71.43 131.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.229 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 18.8 t -142.41 -178.67 5.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.296 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -48.06 -49.04 32.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.375 0.67 . . . . 0.0 112.485 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.1 p -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.555 -178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -64.27 -38.85 92.52 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.915 -176.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.6 mp -57.56 -45.82 84.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.309 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.44 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.6 mm-40 -64.53 -48.08 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.762 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.8 mpp? -71.57 -38.41 70.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.963 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.2 t -55.88 -45.35 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.525 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.77 -45.14 97.03 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.857 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.5 pt-20 -72.12 -33.25 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.826 0.313 . . . . 0.0 110.782 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.623 ' HE2' HD12 ' A' ' 50' ' ' LEU . 24.9 mmt -57.61 -43.51 84.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 173.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 10.3 m120 -57.93 -53.26 60.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -60.22 -34.87 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.024 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HE2' ' A' ' 47' ' ' MET . 70.6 mt -63.91 -45.65 88.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.28 17.39 21.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -175.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 4.3 mm-40 -57.78 -49.47 93.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.204 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 97.4 Cg_endo -79.16 8.94 3.57 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.074 1.85 . . . . 0.0 112.734 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 t -93.57 157.37 16.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.2 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -73.01 -25.82 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 7' ' ' THR . 17.7 m -65.71 -31.74 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 43.28 56.23 4.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.289 0.566 . . . . 0.0 111.509 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 73' ' ' VAL . 14.9 tp -75.95 124.65 27.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.799 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -106.37 149.43 26.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.211 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HB2' HG13 ' A' ' 44' ' ' VAL . 91.3 m-85 -130.77 127.86 39.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.609 -177.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 9.6 mm-40 -119.31 134.24 55.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.39 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -88.86 113.26 24.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 56.6 m-70 -129.33 142.37 50.84 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.314 0.578 . . . . 0.0 110.131 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 4.1 p30 -92.96 171.74 8.76 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.895 -168.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -145.53 74.82 1.41 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.686 -1.143 . . . . 0.0 108.781 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tt 70.8 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.365 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -114.91 -25.2 8.28 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.46 166.43 21.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 14.0 p90 -153.68 128.38 9.4 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 33.1 p90 -130.93 170.26 14.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.083 0.468 . . . . 0.0 111.278 -173.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 52.9 t -100.93 120.15 50.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.82 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.09 113.23 21.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.9 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 61.7 t -85.56 113.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 81' ' ' VAL . 59.4 mt -113.3 111.2 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.176 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 2.1 tm-20 -79.82 132.6 36.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.14 -50.52 70.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -51.71 52.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.172 0.295 . . . . 0.0 111.245 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 75' ' ' GLU . 10.1 p -67.75 -29.18 68.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.704 0.288 . . . . 0.0 111.341 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.54 42.36 11.35 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.64 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.95 164.27 30.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.136 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 74' ' ' ILE . 38.2 t -83.06 97.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 37.8 pt -78.14 -24.96 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.782 -174.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -150.18 136.73 19.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.783 -178.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.12 101.26 8.57 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 64.2 mt -95.65 116.62 66.4 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.624 -171.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.37 157.47 59.12 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.828 2.352 . . . . 0.0 111.797 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.84 -39.62 83.56 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.142 2.561 . . . . 0.0 113.203 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -81.0 8.46 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 0.0 111.592 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HB3' ' OH ' ' A' ' 16' ' ' TYR . 35.2 mmt180 -122.75 -3.83 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.235 0.54 . . . . 0.0 110.047 174.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -71.11 -38.11 72.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.872 -175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.22 -45.07 95.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.334 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.15 -42.4 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 110.58 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.42 -49.24 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.356 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.74 -44.06 81.31 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.097 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -63.71 -50.05 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.92 91.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.527 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -61.69 -47.54 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.683 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -71.0 -25.27 62.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 44.2 mt-10 -69.38 -34.95 75.31 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.353 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -82.67 -54.9 4.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 101' ' ' LEU . 4.3 mm? -69.83 -24.21 63.42 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -75.05 2.23 51.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.263 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.79 -22.55 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 0.0 110.066 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 96.9 m-85 -97.2 -24.74 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.247 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.687 HG12 ' HD3' ' A' ' 109' ' ' LYS . 29.9 m -60.74 121.23 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 0.0 110.942 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -97.67 85.39 3.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.853 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 32.8 tt0 66.35 -70.97 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.966 0.791 . . . . 0.0 112.896 170.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -74.86 -14.08 60.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.152 0.501 . . . . 0.0 110.277 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.687 ' HD3' HG12 ' A' ' 105' ' ' VAL . 32.5 tttp -93.53 5.62 50.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 15.4 mt -84.28 -81.25 0.18 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.662 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 69.3 -11.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.209 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.31 126.0 25.83 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.546 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -83.97 174.18 10.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.021 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.5 m80 66.33 -177.24 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.199 0.523 . . . . 0.0 110.238 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -115.48 43.64 2.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.262 0.553 . . . . 0.0 109.575 173.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -92.11 85.56 5.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.421 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.067 178.311 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m120 60.07 108.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.535 0.684 . . . . 0.0 111.874 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.57 -19.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.0 mp0 -68.54 -8.71 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.283 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -105.81 -3.2 22.24 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.797 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -69.98 107.29 3.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.559 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 25.0 p -89.08 -44.49 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -152.93 175.57 12.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 51' ' ' LEU . 79.9 mt -97.17 38.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.84 -56.13 26.33 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 20.4 Cg_exo -66.34 -20.95 54.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.676 1.584 . . . . 0.0 111.957 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 61.8 t -73.92 -43.25 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.052 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -67.37 -33.78 75.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.811 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.13 -42.83 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -76.25 -29.45 57.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.019 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' ILE . 66.3 t80 -54.45 -45.11 73.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.244 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.69 -40.95 96.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -78.59 -8.91 59.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.168 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -102.31 -43.27 5.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.644 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -58.64 -28.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.2 -178.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.51 -1.99 40.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -153.19 111.62 3.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.55 ' HG3' HH12 ' A' ' 89' ' ' ARG . 1.7 mp0 -83.46 48.09 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -122.25 110.13 15.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -173.36 82.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.86 169.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -106.27 101.31 10.79 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.145 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.69 132.69 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 62.41 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.946 0.779 . . . . 0.0 111.637 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -81.92 64.86 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.669 0.747 . . . . 0.0 111.232 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 32' ' ' VAL . 19.1 m -76.06 148.85 81.92 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.038 172.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.79 89.09 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.526 2.151 . . . . 0.0 113.062 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 30' ' ' VAL . 14.9 p -171.27 134.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.561 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -145.23 -63.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.417 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.51 24.07 5.5 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 39' ' ' ASN . 87.8 t 61.53 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.588 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.879 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 43.1 t 162.46 153.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.736 0.814 . . . . 0.0 109.132 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.17 -36.59 79.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.235 0.541 . . . . 0.0 109.776 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 1.5 m -70.26 -47.31 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.982 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 0.7 OUTLIER -65.48 -29.13 69.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.095 -172.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -59.48 -46.77 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' VAL . . . -70.26 -32.29 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.802 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.7 mt-10 -67.17 -37.46 83.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 0.0 110.087 176.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 59.3 mtt -74.84 -46.88 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.833 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 41' ' ' ALA . 12.2 m -57.07 -36.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -62.51 -43.89 98.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.011 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 112' ' ' HIS . 11.0 pt-20 -80.91 -25.35 37.56 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.736 -0.273 . . . . 0.0 111.505 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 29.1 mmt -62.82 -47.14 84.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HD1' ' A' ' 60' ' ' PHE . 88.3 m-20 -54.55 -42.34 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.35 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' GLY . 67.6 mttm -70.17 -6.45 34.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.353 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' HD22 ' A' ' 101' ' ' LEU . 77.6 mt -96.23 -21.07 18.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.156 0.503 . . . . 0.0 110.56 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 58' ' ' LEU . 69.4 mt -114.06 -4.93 13.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.859 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 6.1 mm-40 -81.05 -43.37 1.19 Allowed Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 33.1 Cg_endo -65.59 -18.45 59.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 C-N-CA 121.817 1.678 . . . . 0.0 112.63 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -93.09 -173.54 3.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.7 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 68.9 mt-30 -94.01 4.65 53.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.655 -177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG12 ' HG ' ' A' ' 58' ' ' LEU . 6.3 t -76.04 -59.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.531 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 86.0 m-70 58.97 74.85 0.42 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.708 -178.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 51' ' ' LEU . 67.7 mt -106.23 133.34 51.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.914 175.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mtpt -115.02 106.72 14.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.937 -177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' OD1' ' A' ' 48' ' ' ASN . 78.5 m-85 -79.96 133.81 36.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.534 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.12 134.49 55.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.368 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 71' ' ' VAL . 63.0 tp -108.12 107.86 18.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 0.0 110.104 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -117.97 -169.47 1.69 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.357 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.94 137.61 53.71 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.219 0.533 . . . . 0.0 110.854 -177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -93.69 -65.65 0.98 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -158.35 -62.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.078 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.54 -16.58 10.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.665 0.745 . . . . 0.0 109.238 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.3 147.79 27.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.031 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' H ' ' HG3' ' A' ' 87' ' ' PRO . 75.4 m-85 -97.48 110.18 22.79 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -75.56 117.31 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.707 -172.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 62' ' ' LEU . 14.1 t -98.5 99.16 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.542 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 16.3 ptpt -103.04 141.02 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.238 0.542 . . . . 0.0 110.996 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG11 HD13 ' A' ' 58' ' ' LEU . 35.0 t -97.09 115.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.165 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 81' ' ' VAL . 64.0 mt -105.02 112.22 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 34.7 tt0 -71.72 139.78 49.28 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 21.9 t70 -81.0 -34.85 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.807 0.337 . . . . 0.0 110.471 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -58.98 -59.21 5.84 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.665 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 p -81.54 -20.71 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 75' ' ' GLU . 8.7 t-20 60.66 64.23 1.21 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.39 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.06 159.75 18.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG22 HG12 ' A' ' 74' ' ' ILE . 46.4 t -70.48 123.09 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 75' ' ' GLU . 45.4 pt -115.79 -8.54 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -156.41 139.96 15.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.203 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 70' ' ' TYR . 0.8 OUTLIER -121.27 112.36 18.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.74 124.16 32.35 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.956 0.408 . . . . 0.0 111.526 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 52.2 Cg_endo -72.63 141.75 34.91 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.453 2.102 . . . . 0.0 111.165 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HG3' ' H ' ' A' ' 69' ' ' TYR . 24.3 Cg_endo -61.14 -28.88 86.1 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 122.894 2.396 . . . . 0.0 113.209 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -86.93 7.74 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.161 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 5.6 mmp_? -123.97 6.68 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.797 0.808 . . . . 0.0 109.274 171.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.35 -29.71 70.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.291 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.09 -45.74 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.938 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.68 -50.33 74.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.427 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.51 -44.22 96.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.72 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -60.09 -40.61 90.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.75 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.91 71.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.2 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.201 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.6 mmm -61.93 -46.68 88.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.315 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 m -67.78 -36.71 80.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.823 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -67.13 -44.91 78.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.246 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -82.03 -57.97 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.707 -0.397 . . . . 0.0 112.002 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.43 -19.3 42.78 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.266 -174.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -78.08 1.17 70.44 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.563 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.95 -4.89 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.227 0.513 . . . . 0.0 110.819 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.49 -17.86 25.06 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 109.634 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 102' ' ' GLY . 35.6 m -102.43 160.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.304 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 108' ' ' LYS . 28.0 t70 -148.23 82.06 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.151 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 108' ' ' LYS . 0.4 OUTLIER 39.08 -76.11 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.47 1.508 . . . . 0.0 113.949 169.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -52.22 -39.86 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.908 -178.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -91.1 10.53 26.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.445 -175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 105' ' ' VAL . 73.7 mt -76.1 -33.74 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 111.016 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.94 13.7 8.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.52 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 40.4 m170 -93.83 -72.29 0.62 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.519 ' HB3' ' OE1' ' A' ' 107' ' ' GLU . 21.8 t-160 -93.18 -62.85 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.522 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.8 t60 61.32 76.73 0.36 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.461 0.648 . . . . 0.0 110.482 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' HIS . 71.8 t60 -139.56 -67.16 0.45 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.421 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 49.3 t-80 164.54 17.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -171.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.45 ' H ' ' H ' ' A' ' 116' ' ' HIS . 39.7 t-80 . . . . . 0 CA--C 1.528 0.099 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.122 -165.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 94.5 mt . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.779 0.323 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -148.04 131.54 16.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 104' ' ' PHE . 18.6 tt -65.74 -30.49 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.996 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.76 -5.51 41.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.561 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -116.48 7.35 13.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 tp -76.07 108.56 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.776 -177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.597 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 4.9 t -139.99 81.66 1.83 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.332 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 9' ' ' LEU . 1.1 t -168.38 -64.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 51' ' ' LEU . 70.7 mt 69.32 4.75 4.77 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.78 0.832 . . . . 0.0 111.686 -174.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.7 tp60 -57.12 -48.44 97.4 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.669 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 75.9 Cg_exo -53.84 -27.22 42.72 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.055 1.836 . . . . 0.0 112.81 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.42 -49.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.059 0.457 . . . . 0.0 110.077 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 83' ' ' ARG . 65.2 m95 -65.15 -29.7 70.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.93 -46.52 90.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.377 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 81.0 mtt180 -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.814 178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.23 -45.87 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.28 -40.62 94.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.3 m -68.95 -40.54 78.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.683 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.18 -38.89 88.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.105 0.479 . . . . 0.0 110.346 178.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -21.57 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.954 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.82 -25.89 67.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.805 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.17 84.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.672 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -97.59 109.31 22.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.414 0.626 . . . . 0.0 110.458 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -94.94 153.32 17.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.743 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.77 11.72 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.463 0.649 . . . . 0.0 110.405 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -154.38 169.07 24.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -71.02 167.28 19.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -101.25 -47.67 4.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.59 25.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.16 142.01 29.39 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.4 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.12 38.91 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.033 2.488 . . . . 0.0 112.554 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -163.61 123.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.421 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.825 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 11.2 p80 -166.01 38.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.314 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -138.82 136.88 36.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.715 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.3 t -140.75 154.75 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 32.9 p -168.39 178.43 4.87 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.48 -32.81 71.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.181 0.515 . . . . 0.0 109.637 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 m -74.59 -48.71 25.08 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.826 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' HB2' ' H ' ' A' ' 36' ' ' SER . 23.4 m120 -59.72 -37.16 78.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 44' ' ' VAL . 80.3 mt -57.9 -54.95 41.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.786 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.97 83.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.1 -51.96 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.159 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.553 ' O ' ' HG2' ' A' ' 47' ' ' MET . 61.4 mtt -74.56 -42.69 58.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.916 -174.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 40' ' ' LEU . 64.9 t -55.58 -36.88 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.768 0.318 . . . . 0.0 111.276 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.12 76.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.577 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.2 pt-20 -74.52 -29.59 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.599 -0.353 . . . . 0.0 111.512 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.691 ' HE2' HD12 ' A' ' 50' ' ' LEU . 29.2 mmt -57.21 -46.16 83.17 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.872 0.368 . . . . 0.0 110.24 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 14.9 m-80 -56.91 -47.76 79.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.871 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 43.6 mttm -84.4 19.25 1.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.87 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.691 HD12 ' HE2' ' A' ' 47' ' ' MET . 61.4 mt -108.55 -23.42 11.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.452 166.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 9' ' ' LEU . 80.3 mt -103.13 -12.83 17.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.257 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 36.4 mt-10 -60.25 -46.64 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 38.7 Cg_endo -66.88 -12.21 35.15 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.891 1.727 . . . . 0.0 113.016 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.4 p -98.03 -175.38 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.368 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.597 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.9 mm-40 -82.77 -37.11 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.184 0.516 . . . . 0.0 110.761 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 7' ' ' THR . 2.8 m -82.79 95.26 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.447 0.641 . . . . 0.0 112.081 -173.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 52' ' ' GLU . 32.4 m-70 -89.57 79.34 6.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.895 173.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 56' ' ' VAL . 11.0 mp -86.1 130.16 34.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.3 125.27 37.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.691 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 67.9 m-85 -97.79 120.12 37.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.504 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.4 134.9 54.68 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.536 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.4 tp -94.58 109.35 21.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.588 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -126.91 137.92 53.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.255 0.55 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -116.98 160.9 20.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.28 -176.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 18.6 ptpt -151.01 119.62 6.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.986 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 66.61 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.464 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -127.56 -19.31 4.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.75 152.19 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 111.473 -171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 16.7 p90 -141.83 123.52 15.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.451 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -138.25 166.3 24.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 111.336 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.03 125.39 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.716 -176.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 81' ' ' VAL . 19.9 mtpp -94.45 134.8 36.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.008 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 83' ' ' ARG . 51.6 t -104.06 113.48 41.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.79 HG12 HG22 ' A' ' 81' ' ' VAL . 62.5 mt -105.11 117.99 51.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.349 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 114.45 18.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.82 -29.58 67.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -168.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -72.72 -32.97 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.169 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.3 p -95.48 -19.63 19.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.653 0.264 . . . . 0.0 111.503 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.64 28.99 11.11 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.071 0.549 . . . . 0.0 111.477 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.4 pt-20 -129.61 157.59 41.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.925 0.393 . . . . 0.0 110.371 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 74' ' ' ILE . 39.0 t -84.41 102.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.005 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.3 pt -85.09 -22.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.747 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 21.9 mmt180 -143.8 155.88 44.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 111.738 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -147.15 118.5 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.674 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.1 mp -111.53 123.49 34.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.672 0.273 . . . . 0.0 110.822 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.06 152.01 50.64 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.817 2.344 . . . . 0.0 111.777 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.17 -25.43 72.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.603 2.202 . . . . 0.0 112.664 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -83.65 -0.71 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.651 -179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 89' ' ' ARG . 30.3 ttp180 -138.67 19.6 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 122.072 0.939 . . . . 0.0 109.65 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -72.05 -28.43 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.925 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.32 -42.12 86.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.198 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.3 -49.31 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.634 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.38 -48.68 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.115 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -62.99 -45.77 90.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.403 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.06 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.36 71.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.276 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.15 -50.11 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -65.05 -30.54 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.711 -175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 4.8 tp10 -73.69 -38.11 64.99 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 120.909 0.385 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -82.15 -57.44 3.39 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.107 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.36 -30.78 68.86 Favored 'General case' 0 N--CA 1.462 0.129 0 O-C-N 122.2 -0.313 . . . . 0.0 111.276 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -66.95 -14.86 64.02 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.088 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 68.5 mt -71.77 -22.73 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.716 0.293 . . . . 0.0 111.239 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.501 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 87.6 m-85 -93.07 -7.35 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.823 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.763 ' HB ' HD23 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -126.16 104.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 0.0 111.457 -176.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' LYS . 21.4 t70 -93.83 82.73 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.56 -177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 53.94 -76.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' ASP . 75.3 mmtt -64.75 -20.72 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.115 0.483 . . . . 0.0 110.511 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -98.4 12.06 36.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.634 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.763 HD23 ' HB ' ' A' ' 105' ' ' VAL . 39.1 mt -73.19 -27.78 61.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 29.0 mm-40 71.63 -29.76 0.2 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.659 0.599 . . . . 0.0 112.116 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.0 m170 -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -50.83 121.64 6.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.315 0.579 . . . . 0.0 111.866 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -129.37 133.5 47.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.495 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -101.27 139.9 36.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.809 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.2 t60 70.39 -67.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.423 0.689 . . . . 0.0 110.883 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.494 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.688 0.28 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.13 110.54 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.872 0.367 . . . . 0.0 110.749 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' SER . 15.4 tt -82.39 -19.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.183 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 38.6 mt-10 -68.38 -7.98 36.23 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.789 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 55' ' ' GLN . 6.3 ptt-85 -142.11 36.64 1.55 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.824 0.821 . . . . 0.0 109.677 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 56' ' ' VAL . 50.8 tp -83.04 109.52 17.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.694 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.555 ' HA ' HG13 ' A' ' 56' ' ' VAL . 8.6 t -120.54 23.13 10.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.964 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -139.14 143.86 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 58' ' ' LEU . 97.0 mt -120.18 21.73 11.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.88 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.9 tp60 -52.79 -50.44 81.2 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.212 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 25.9 Cg_exo -64.67 -27.32 60.69 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.753 1.635 . . . . 0.0 112.41 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG11 ' SD ' ' A' ' 97' ' ' MET . 58.2 t -75.9 -49.76 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.487 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 8.0 m95 -60.3 -41.61 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.56 -42.02 98.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.391 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -69.29 -38.27 78.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.09 -44.73 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.208 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -71.57 -43.94 65.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -59.66 -66.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.138 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.474 HD12 ' HD2' ' A' ' 89' ' ' ARG . 24.6 mm -56.7 -24.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.83 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -98.63 9.16 43.9 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.385 -174.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -116.33 -83.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 56.49 26.81 11.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.851 0.46 . . . . 0.0 112.226 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -85.91 -165.66 1.31 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.63 -62.3 1.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.518 0.511 . . . . 0.0 110.617 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -101.91 122.79 44.7 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.759 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.59 -165.78 1.68 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.03 164.66 25.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -76.67 41.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.212 0.529 . . . . 0.0 111.568 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 92' ' ' ASP . 3.4 p -68.67 128.58 92.91 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.208 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.95 89.53 1.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.306 2.004 . . . . 0.0 112.403 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 91' ' ' LEU . 43.9 t -95.96 102.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.655 0.74 . . . . 0.0 110.253 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' H ' HD13 ' A' ' 91' ' ' LEU . 11.6 p80 -153.19 152.4 31.19 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.769 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -63.67 108.21 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.986 0.422 . . . . 0.0 111.74 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 39' ' ' ASN . 9.0 m -89.67 122.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -98.46 80.29 2.59 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -164.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 64.33 -68.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.137 0.898 . . . . 0.0 112.392 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 m -67.64 -26.44 66.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 9.8 m120 -62.54 -39.72 94.49 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.404 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 87' ' ' PRO . 7.4 mp -54.31 -47.14 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.694 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.06 97.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.747 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.9 mtp -79.79 -40.6 28.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.357 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.3 t -61.69 -40.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 49' ' ' LYS . . . -54.55 -53.17 40.33 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.736 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.47 -30.28 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.59 0.233 . . . . 0.0 110.975 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.705 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 3.5 tpt -60.87 -40.71 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 HD21 ' HB2' ' A' ' 60' ' ' PHE . 34.0 m-80 -65.86 -36.16 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.063 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 59.8 mtpt -69.76 -30.78 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.256 -175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.49 -12.88 61.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.652 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD13 HD23 ' A' ' 58' ' ' LEU . 78.8 mt -117.81 8.98 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.545 ' HG3' ' HA ' ' A' ' 49' ' ' LYS . 49.4 mt-10 -66.34 -51.43 43.36 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 74.0 Cg_endo -74.5 -6.92 18.97 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.015 1.81 . . . . 0.0 112.719 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 6' ' ' LEU . 14.7 t -86.94 170.47 11.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.239 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.804 ' HG2' ' HA ' ' A' ' 5' ' ' ARG . 14.9 mm-40 -84.3 -35.16 23.52 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 120.691 0.281 . . . . 0.0 110.544 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -74.29 86.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 121.323 0.583 . . . . 0.0 110.116 175.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.72 84.07 5.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.795 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.669 HD23 HD13 ' A' ' 51' ' ' LEU . 2.0 mm? -83.2 116.9 22.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.208 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 35.4 mtpt -93.43 104.67 16.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 48' ' ' ASN . 89.7 m-85 -83.59 114.64 21.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.573 -177.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -117.28 134.53 54.7 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.3 tp -90.34 97.63 11.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.888 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -110.44 115.47 29.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.301 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.3 p-10 -79.98 153.45 28.88 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.155 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -103.98 -130.6 0.27 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -81.75 -47.85 12.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 109.662 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.23 -21.04 2.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.753 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -92.24 170.15 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.689 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 18.3 p90 -148.38 127.48 12.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -137.28 165.24 26.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.523 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -108.5 114.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.701 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -98.61 149.1 23.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.671 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 58' ' ' LEU . 84.9 t -102.27 115.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.738 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 81' ' ' VAL . 68.4 mt -115.57 118.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.874 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.87 117.69 22.33 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 14.9 t70 -63.32 -25.55 68.36 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 111.211 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.5 m -65.04 -28.93 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.611 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.538 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 3.0 p -116.07 -17.39 10.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 64.1 26.16 13.89 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.329 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.538 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.0 pt-20 -126.48 170.44 12.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 74' ' ' ILE . 36.3 t -89.58 130.13 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.338 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.1 pt -114.15 -4.99 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.819 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -174.08 147.37 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.808 -0.178 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -128.35 115.46 18.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.7 mp -105.47 118.03 56.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.045 0.45 . . . . 0.0 110.947 -176.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.22 155.55 64.16 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.852 2.368 . . . . 0.0 111.556 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 40' ' ' LEU . 18.0 Cg_endo -59.25 -32.22 96.56 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.061 2.508 . . . . 0.0 112.412 -174.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -75.02 -12.85 60.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.628 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' HD12 ' A' ' 20' ' ' ILE . 55.6 mtm180 -121.82 5.93 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.169 0.509 . . . . 0.0 110.633 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -69.99 -24.88 63.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.237 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 32' ' ' VAL . 32.5 mt -68.05 -50.71 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.63 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 30' ' ' VAL . 10.1 m-20 -59.94 -38.11 81.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 97' ' ' MET . 88.5 t80 -62.75 -53.2 57.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.579 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -58.82 -39.3 80.78 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -58.44 -52.76 64.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.69 78.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.461 ' SD ' HG11 ' A' ' 12' ' ' VAL . 97.1 mmm -64.26 -50.19 68.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 t -72.87 -26.77 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 52.5 mt-10 -67.11 -39.73 86.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -82.09 -56.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.657 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.58 -30.51 69.28 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -73.06 -9.0 75.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.493 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.49 -4.96 59.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.008 0.432 . . . . 0.0 110.464 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -112.47 3.26 16.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.013 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 ' HA2' ' A' ' 102' ' ' GLY . 27.4 m -106.82 119.99 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.158 0.504 . . . . 0.0 111.992 -174.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.0 t70 70.71 -2.55 2.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.16 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 7.2 tt0 69.51 -43.64 0.53 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.119 0.968 . . . . 0.0 112.284 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -58.82 -29.49 66.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.298 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.77 2.13 39.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 111.465 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -79.77 -10.96 59.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.315 0.578 . . . . 0.0 109.602 174.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 71.12 -12.96 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.34 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.461 ' H ' ' HG ' ' A' ' 110' ' ' LEU . 58.4 m170 62.92 24.17 14.4 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.389 0.614 . . . . 0.0 110.394 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 20.7 t-80 -90.41 -7.8 52.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.974 -174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 44.4 m-70 69.82 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.602 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.4 m80 63.11 -176.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.364 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -143.77 177.21 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.346 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m80 . . . . . 0 C--N 1.319 -0.739 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.695 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -110.25 122.99 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.695 0.283 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 54' ' ' SER . 13.2 tt -106.28 -19.01 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 0.0 109.9 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -28.88 65.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.503 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' HD2' HH11 ' A' ' 5' ' ' ARG . 45.8 mtm180 -117.51 7.42 12.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.257 0.551 . . . . 0.0 110.258 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.46 114.1 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.304 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -120.04 -30.51 4.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.994 0.426 . . . . 0.0 111.585 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -102.08 146.94 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.227 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 12' ' ' VAL . 51.7 mt -107.01 30.11 6.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.393 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.644 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 29.7 tp60 -46.63 -56.09 12.45 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.299 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 24.3 Cg_exo -63.99 -25.38 66.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 121.796 1.664 . . . . 0.0 112.363 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 9' ' ' LEU . 56.6 t -72.08 -44.19 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.738 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -63.15 -40.72 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.748 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.03 -50.86 71.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 18' ' ' THR . 9.9 mtp180 -63.66 -46.26 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.712 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.2 -43.8 95.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.1 -46.42 90.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.882 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.509 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 6.1 t -78.53 -10.33 59.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.685 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.73 -12.15 18.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.142 0.496 . . . . 0.0 110.478 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -75.91 -43.17 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.152 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -85.37 -5.83 59.27 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.114 0.483 . . . . 0.0 111.09 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -153.15 92.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.85 78.5 7.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.263 0.554 . . . . 0.0 110.875 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -76.42 84.42 3.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.315 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.28 146.67 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.247 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -108.55 111.16 22.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 28' ' ' ASN . 21.7 t70 -124.5 176.68 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 9.0 t30 75.43 120.74 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.376 0.67 . . . . 0.0 111.307 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.09 24.08 14.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.481 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 2.7 p -144.79 116.49 5.31 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 121.446 0.641 . . . . 0.0 110.037 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 20.6 Cg_exo -63.4 108.59 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.004 2.469 . . . . 0.0 111.442 177.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -85.75 106.48 15.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.324 1.059 . . . . 0.0 110.239 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 39' ' ' ASN . 29.1 m-70 -80.2 125.08 29.39 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.202 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.22 20.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.931 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t 64.14 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.483 0.659 . . . . 0.0 111.495 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -119.02 93.18 4.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.718 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 t80 47.63 -86.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 6.0 m -55.85 -27.27 50.74 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 122.772 0.429 . . . . 0.0 111.421 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -49.87 -44.3 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.924 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.1 mm? -60.74 -51.33 69.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.881 0.372 . . . . 0.0 110.133 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.31 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' THR . 44.4 mt-10 -61.78 -54.66 39.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' HA ' ' OE2' ' A' ' 46' ' ' GLU . 4.5 mpp? -72.75 -21.36 61.03 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 40' ' ' LEU . 54.5 t -73.57 -47.9 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.073 175.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.24 -36.85 90.57 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.954 -0.566 . . . . 0.0 113.225 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 43' ' ' MET . 14.1 pt-20 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.713 0.256 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.2 mmt -68.07 -32.84 73.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 12.2 m120 -56.92 -47.63 80.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.026 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' A' ' 52' ' ' GLU . 61.3 mttp -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.422 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -72.98 -24.22 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.55 -9.15 21.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.24 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 38.7 mt-10 -57.11 -48.53 97.27 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 6.3 Cg_exo -75.82 12.63 1.38 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.466 2.11 . . . . 0.0 113.648 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.424 ' HB3' HG12 ' A' ' 3' ' ' ILE . 85.1 p -120.12 -172.12 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.671 0.272 . . . . 0.0 110.576 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -103.04 -0.2 31.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.94 97.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.449 0.642 . . . . 0.0 110.741 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.9 OUTLIER -86.27 69.08 10.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.278 -179.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 75' ' ' GLU . 81.8 mt -118.6 121.49 40.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -109.51 133.42 53.11 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 45.5 m-85 -112.92 132.89 55.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -172.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -119.14 136.38 54.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 0.0 110.98 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 69' ' ' TYR . 64.0 tp -93.63 100.98 13.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.436 173.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -105.68 109.35 21.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.23 0.538 . . . . 0.0 111.045 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.81 124.16 22.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.675 175.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 70' ' ' TYR . 35.9 tttt -126.3 98.55 5.5 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.483 -173.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mp 65.84 -78.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.491 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -133.11 -13.2 2.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -112.16 147.42 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.15 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.93 121.21 21.36 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.856 0.36 . . . . 0.0 110.184 174.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB3' ' HD3' ' A' ' 87' ' ' PRO . 14.8 p90 -125.72 169.69 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.625 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.3 120.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.729 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.9 mtpp -89.55 119.01 29.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.245 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.4 113.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 81' ' ' VAL . 64.8 mt -110.33 112.73 41.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.066 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HA ' HD23 ' A' ' 58' ' ' LEU . 30.7 tt0 -77.49 122.76 25.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.589 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 38.8 t70 -73.82 -14.03 61.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.863 0.363 . . . . 0.0 111.353 -175.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.441 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 21.6 t -75.45 -45.42 38.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.229 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.404 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 1.9 p -93.07 -22.62 19.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' ASN . 5.9 m120 65.04 28.18 12.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.049 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 10.7 pt-20 -119.71 165.49 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.002 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 74' ' ' ILE . 40.2 t -85.02 104.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 75' ' ' GLU . 36.8 pt -85.43 -21.14 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.869 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.34 140.64 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.237 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -124.48 104.49 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.3 mp -86.83 119.54 71.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.642 -174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 28.7 Cg_endo -62.86 144.96 94.42 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 122.889 2.393 . . . . 0.0 111.851 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 70' ' ' TYR . 15.8 Cg_endo -56.98 -31.47 89.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.098 2.532 . . . . 0.0 112.942 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -0.19 48.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 51.4 mtt-85 -125.39 11.72 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.964 0.411 . . . . 0.0 110.082 172.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.46 -35.79 75.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.76 -38.29 83.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -59.24 -51.28 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.066 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.82 -44.19 90.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.665 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -56.66 -49.47 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.869 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.44 77.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.405 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.36 76.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.114 0.483 . . . . 0.0 111.465 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -81.21 -42.82 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.878 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -73.56 -29.4 62.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -68.91 -28.99 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.838 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -81.71 -56.43 4.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.0 mm? -65.47 -28.44 69.21 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.232 -0.292 . . . . 0.0 111.086 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -74.04 0.4 52.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.41 178.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 94.0 mt -86.31 -19.18 30.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.046 0.451 . . . . 0.0 110.002 172.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -97.22 13.1 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.672 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' HA2' ' A' ' 102' ' ' GLY . 33.3 m -67.13 154.09 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.263 0.554 . . . . 0.0 111.292 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.445 ' HB3' ' HG2' ' A' ' 109' ' ' LYS . 37.2 t70 -93.67 9.63 36.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.364 -178.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.964 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.9 tt0 71.3 -58.2 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.643 0.777 . . . . 0.0 110.98 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.52 -15.53 62.76 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.109 0.48 . . . . 0.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 106' ' ' ASP . 72.7 mmtt -96.92 -3.07 42.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.712 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.3 pp -88.2 6.23 37.74 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.933 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 76.91 1.92 3.25 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 110.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 m170 69.58 -165.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.456 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -149.06 153.83 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.331 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.04 136.95 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -162.59 146.69 11.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -69.42 98.29 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--N 1.32 -0.708 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.125 0.488 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -97.94 124.38 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.687 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 16.5 tt -91.49 -20.92 6.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.25 -23.14 65.44 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.038 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -124.25 19.94 8.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.24 0.543 . . . . 0.0 110.342 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.87 117.92 20.42 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.464 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.615 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 t -133.03 0.64 3.47 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -113.74 131.53 56.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.239 0.543 . . . . 0.0 111.445 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD11 HG11 ' A' ' 56' ' ' VAL . 65.8 mt -116.54 17.26 15.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.706 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.551 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.1 tp60 -58.62 -47.41 98.78 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.583 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 52.3 Cg_exo -57.6 -26.54 72.9 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 121.914 1.743 . . . . 0.0 112.132 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.86 -45.62 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -62.55 -37.93 88.03 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.2 -49.07 78.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.35 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 39.2 ttt85 -68.24 -33.12 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.219 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.79 -49.47 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.191 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.37 -41.21 88.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.532 . . . . 0.0 110.031 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 32.9 m -67.72 -23.53 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.832 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 12.3 mm100 -86.9 -51.26 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.226 0.536 . . . . 0.0 109.807 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' CD1' ' HD3' ' A' ' 89' ' ' ARG . 17.1 mm -51.75 -48.41 38.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.172 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -74.51 -5.82 44.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -174.207 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 3.4 t-20 -111.78 -15.09 13.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.65 -175.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.88 77.92 0.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.594 0.712 . . . . 0.0 109.217 -170.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 12.7 mmtp -99.21 150.28 22.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.47 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -141.24 101.08 3.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.909 170.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -79.64 131.04 35.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.382 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -83.75 93.05 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -73.83 157.06 37.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.882 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.8 7.76 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.787 0.803 . . . . 0.0 110.444 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.7 p -120.45 135.78 24.8 Favored Pre-proline 0 C--N 1.312 -1.045 0 CA-C-N 114.249 -1.342 . . . . 0.0 107.624 171.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' HD2' HG23 ' A' ' 30' ' ' VAL . 32.7 Cg_endo -65.39 81.33 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.6 2.2 . . . . 0.0 113.368 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.23 108.85 22.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.564 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -144.02 15.4 1.72 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.75 -1.113 . . . . 0.0 109.785 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -160.38 149.59 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.738 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -111.62 121.04 63.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -102.03 164.27 11.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.717 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.95 -37.75 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 109.759 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -62.47 -41.03 98.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.216 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' MET . 0.3 OUTLIER -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.657 -174.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.53 -51.37 63.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.24 96.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -67.33 -47.73 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.14 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 47' ' ' MET . 12.7 tpp -63.96 -51.14 65.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 -176.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.33 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.76 -53.32 47.15 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.382 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 13.2 pt-20 -82.6 -19.28 38.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.81 0.305 . . . . 0.0 110.893 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' A' ' 43' ' ' MET . 2.0 tpt -59.06 -40.14 84.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.122 0.486 . . . . 0.0 110.415 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 HD21 ' HB2' ' A' ' 60' ' ' PHE . 41.2 m-80 -71.66 -24.79 61.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.506 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 47.6 mttm -82.01 -22.72 36.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.407 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.2 mt -68.36 -18.88 64.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.436 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -110.65 -0.45 17.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.408 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' OE2' ' HG2' ' A' ' 49' ' ' LYS . 31.0 mt-10 -59.82 -51.35 81.44 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.549 ' HG2' HD13 ' A' ' 3' ' ' ILE . 90.8 Cg_endo -81.08 23.1 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.943 1.762 . . . . 0.0 112.927 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.7 p -122.5 -176.33 3.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.822 0.344 . . . . 0.0 110.396 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 13.5 mm-40 -90.72 -7.21 53.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 109.801 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 9' ' ' LEU . 45.9 t -78.64 105.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.569 -177.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -96.83 76.81 2.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.149 0.5 . . . . 0.0 110.203 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD13 ' CG1' ' A' ' 56' ' ' VAL . 9.1 mp -115.37 133.17 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.039 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -114.09 116.82 29.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.235 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 48' ' ' ASN . 70.1 m-85 -94.34 122.55 37.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.381 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.63 136.16 54.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 0.0 111.104 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.1 tp -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -122.06 141.93 50.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.179 0.514 . . . . 0.0 110.148 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 6.9 p-10 -90.26 157.57 17.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.205 -172.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -135.15 77.7 1.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.11 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 tt 68.73 -60.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.413 0.685 . . . . 0.0 111.274 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -131.3 -28.26 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -88.18 171.48 10.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -143.69 118.33 9.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.407 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 47.4 p90 -125.09 163.01 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.161 -174.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -99.83 115.89 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.107 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 81' ' ' VAL . 14.5 ptmt -108.36 138.54 44.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.961 0.41 . . . . 0.0 110.548 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.9 t -94.01 115.48 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.619 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 81' ' ' VAL . 63.9 mt -107.11 111.63 36.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.121 177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' ILE . 40.7 tt0 -79.2 130.2 35.23 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.29 -22.96 54.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.734 0.302 . . . . 0.0 111.181 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -63.56 -48.4 77.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.892 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.505 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 2.8 p -89.35 -23.39 22.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 69.81 23.44 5.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.846 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 12.6 pt-20 -133.29 174.68 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.729 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 74' ' ' ILE . 27.3 t -81.46 118.29 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.994 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.552 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 35.9 pt -96.62 -25.97 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -156.2 152.68 28.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.64 116.93 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.5 mp -108.99 121.29 43.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 Cg_endo -79.13 152.97 24.56 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 111.649 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 43.2 Cg_exo -56.04 -31.51 82.85 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.124 2.549 . . . . 0.0 113.464 -174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -71.24 -9.21 57.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.651 0.262 . . . . 0.0 111.609 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HD3' ' CD1' ' A' ' 20' ' ' ILE . 92.9 mtt180 -125.11 17.5 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 110.182 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 43' ' ' MET . 72.7 t-105 -69.31 -33.85 73.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.67 -34.22 77.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.257 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.37 -50.87 50.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 110.082 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.99 -47.89 83.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.836 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -59.74 -49.75 76.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.87 -37.03 73.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.458 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.0 mtp -77.66 -44.31 28.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.686 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 95' ' ' ALA . 15.2 t -71.81 -26.03 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 41.1 mt-10 -75.13 -32.86 61.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.077 0.465 . . . . 0.0 110.47 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -82.1 -57.28 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.04 -19.96 60.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.976 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 105' ' ' VAL . . . -82.05 3.29 81.14 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.802 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 81.1 mt -90.83 -42.32 10.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.598 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 91.1 m-85 -77.63 -50.52 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 102' ' ' GLY . 20.5 m 50.94 135.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 176.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.14 98.11 4.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.66 166.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.774 ' HA ' HD23 ' A' ' 110' ' ' LEU . 35.8 tt0 -4.77 -57.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.46 1.904 . . . . 0.0 115.91 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.12 -18.64 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -103.75 9.96 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 107' ' ' GLU . 3.9 pp -85.7 6.06 29.35 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.55 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 78.83 -43.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.932 0.893 . . . . 0.0 111.766 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.569 ' H ' HD12 ' A' ' 110' ' ' LEU . 50.3 m-70 66.77 96.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.778 0.431 . . . . 0.0 110.722 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -89.37 -26.64 20.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.318 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -144.95 102.7 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.388 0.613 . . . . 0.0 112.123 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -104.21 -12.6 16.59 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -128.11 145.83 50.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.62 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.9 m80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.347 178.34 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -133.06 133.47 43.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 104' ' ' PHE . 14.7 tt -92.09 -11.95 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.814 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 28.1 mt-10 -78.0 -4.56 47.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.79 10.75 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.355 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -78.69 98.93 6.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.554 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 19.1 p -93.78 -39.95 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -140.12 165.46 27.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.944 -172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 HG11 ' A' ' 56' ' ' VAL . 2.6 mm? -108.3 29.44 7.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.677 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 25.3 tp60 -50.18 -50.61 68.91 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 41.7 Cg_exo -58.0 -26.22 74.02 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.917 1.745 . . . . 0.0 112.507 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.56 -41.61 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.925 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -60.67 -36.16 78.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.131 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.06 -51.01 70.99 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.784 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.85 -26.39 62.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.45 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -63.19 -51.99 64.12 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.094 0.246 . . . . 0.0 110.539 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 109.885 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.77 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 88.1 m -62.4 -40.72 97.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.699 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -49.76 67.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.525 0.678 . . . . 0.0 110.216 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.32 -47.14 93.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.392 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.77 ' CD2' ' HA ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -80.9 -23.05 39.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.506 -175.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' ' 22' ' ' ASN . 8.7 m120 -115.56 77.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.455 0.645 . . . . 0.0 109.791 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -83.92 88.5 7.13 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.235 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -84.84 4.31 33.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.492 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 t70 64.29 91.43 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.756 0.66 . . . . 0.0 111.003 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -99.82 114.89 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.846 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -150.03 141.14 23.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.351 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -129.97 33.73 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.425 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.35 39.38 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.593 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.0 t -97.01 137.82 21.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.627 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 8.2 Cg_exo -72.36 50.87 1.67 Allowed 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.448 2.766 . . . . 0.0 113.084 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG23 HG22 ' A' ' 35' ' ' VAL . 10.2 p -152.68 115.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.832 0.825 . . . . 0.0 110.901 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' HA ' HD11 ' A' ' 91' ' ' LEU . 5.6 p80 -159.48 -30.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.3 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -112.88 -22.13 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 109.251 170.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG11 ' HG ' ' A' ' 40' ' ' LEU . 37.4 t 72.03 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.557 173.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 168.39 9.71 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.43 176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.26 -49.8 74.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.578 0.228 . . . . 0.0 111.128 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 m -56.86 -43.91 81.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -49.62 77.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HG11 ' A' ' 35' ' ' VAL . 22.1 mt -64.55 -44.55 90.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.973 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.6 76.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.718 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.25 -50.61 59.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.669 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 73.0 mtm -69.02 -29.93 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.61 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.02 -39.14 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.836 173.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.18 -46.16 94.74 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.629 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 16.2 pt-20 -68.03 -37.81 81.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.772 0.286 . . . . 0.0 111.135 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.7 mmt -61.04 -39.41 89.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.596 0.236 . . . . 0.0 111.438 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -63.43 -23.11 67.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.931 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -105.47 4.03 30.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 -175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 73.8 mt -95.85 -28.09 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.827 178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 58' ' ' LEU . 6.9 mp -113.65 26.32 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -173.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 67.0 mt-10 -58.49 -53.49 65.66 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 77.6 Cg_endo -85.12 15.5 2.2 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.886 1.724 . . . . 0.0 113.161 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -91.7 166.74 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 69.0 mt-30 -97.13 6.17 48.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.795 0.331 . . . . 0.0 110.509 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.633 HG11 HD21 ' A' ' 9' ' ' LEU . 16.8 t -73.1 -51.2 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 68.9 m-70 65.48 68.98 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.584 -175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' CG1' ' A' ' 56' ' ' VAL . 30.5 mt -95.75 123.92 39.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.345 0.593 . . . . 0.0 111.182 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 41.4 mtpt -106.69 106.28 16.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.248 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 89.9 m-85 -95.78 127.37 41.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.958 -177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -119.04 135.35 54.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 110.291 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 tp -103.47 104.66 14.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -113.81 137.62 51.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.155 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 5.1 p-10 -107.17 156.74 18.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.23 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 10.8 ptmm? -149.73 118.28 6.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tt 64.75 -78.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.492 0.495 . . . . 0.0 111.223 172.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' LYS . 56.7 t30 -127.77 -25.71 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.276 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.4 156.51 25.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.251 0.548 . . . . 0.0 112.2 -172.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -129.93 143.09 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.36 177.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.453 ' HE2' ' HG2' ' A' ' 65' ' ' LYS . 3.3 p90 -136.54 158.39 44.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.48 118.85 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.814 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 24.3 mtpp -89.55 123.16 33.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.24 176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.98 113.54 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 67.4 mt -118.03 128.7 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.64 119.58 29.24 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 34.9 t70 -67.12 -26.63 66.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.507 -174.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -66.57 -37.53 85.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.518 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 p -103.05 -24.0 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.089 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 66.31 27.84 10.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.8 157.58 22.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.873 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 74' ' ' ILE . 30.4 t -84.13 98.22 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.637 ' O ' ' HD2' ' A' ' 83' ' ' ARG . 21.3 pt -75.47 -37.77 38.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.794 -173.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 82' ' ' ILE . 2.4 mpt_? -140.52 144.66 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -128.12 109.49 11.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 85' ' ' ILE . 3.3 mp -101.58 118.75 59.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.932 -174.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HG2' ' HB2' ' A' ' 89' ' ' ARG . 96.6 Cg_endo -74.12 159.67 43.87 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.865 2.377 . . . . 0.0 111.141 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 69' ' ' TYR . 9.8 Cg_endo -52.78 -43.01 59.32 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.143 2.562 . . . . 0.0 113.468 -173.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -78.03 -17.56 56.91 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -175.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.722 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . 19.7 mmt180 -95.83 -8.13 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.265 0.555 . . . . 0.0 110.523 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -65.82 -28.0 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.005 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 33' ' ' HIS . 84.8 mt -64.3 -42.75 96.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.735 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 0.0 110.292 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -72.24 -47.34 51.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.527 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -58.86 -41.46 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.74 81.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.023 0.44 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.06 88.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.6 tpt -69.71 -39.31 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.688 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -67.52 -39.41 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 37.9 mt-10 -62.71 -35.08 78.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.71 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -81.61 -57.42 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.209 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.0 tm? -69.66 -35.38 75.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.911 -174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.563 ' HA2' ' CG2' ' A' ' 105' ' ' VAL . . . -65.28 -13.21 57.66 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.565 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 88.0 mt -76.95 -27.09 54.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.758 0.314 . . . . 0.0 110.781 174.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 97.5 m-85 -86.47 -45.52 11.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.563 ' CG2' ' HA2' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -59.56 132.68 24.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.259 0.552 . . . . 0.0 111.272 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -91.55 85.15 5.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.307 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 110' ' ' LEU . 43.4 tt0 59.25 -72.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 165.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -68.62 -23.17 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.6 mttt -85.3 1.52 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.831 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 112' ' ' HIS . 95.0 mt -86.52 -16.41 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.636 174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 56.95 25.75 10.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.243 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 110' ' ' LEU . 9.8 m-70 -85.64 -176.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.287 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB3' ' A' ' 114' ' ' HIS . 9.8 t60 -66.04 -54.83 20.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 113' ' ' HIS . 0.3 OUTLIER 162.49 173.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.06 0.944 . . . . 0.0 109.042 173.491 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -126.54 -50.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.558 0.218 . . . . 0.0 111.044 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -135.61 -9.59 2.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.399 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.143 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -130.58 139.4 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 0.0 111.586 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 53' ' ' PRO . 15.4 tt -87.52 -4.43 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.645 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -74.74 -2.96 28.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.34 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' HE22 ' A' ' 55' ' ' GLN . 52.4 mtt180 -124.27 17.29 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.371 0.605 . . . . 0.0 109.642 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 tp -83.61 89.54 7.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.243 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 55' ' ' GLN . 18.8 p -92.76 -10.47 36.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.989 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -134.25 172.36 12.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 12' ' ' VAL . 11.8 tp -134.31 23.49 3.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.049 0.452 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 22.0 tp60 -45.46 -53.24 19.35 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.078 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 74.5 Cg_exo -52.72 -34.53 64.83 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.001 1.801 . . . . 0.0 113.193 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 86.9 t -73.86 -46.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -67.31 -32.28 73.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.45 -42.92 70.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.296 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -64.18 -51.99 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.161 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 20' ' ' ILE . 81.9 t80 -57.84 -46.89 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.479 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.02 -45.47 67.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.339 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.6 m -89.03 -33.8 17.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.22 -27.76 68.89 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD2' ' A' ' 89' ' ' ARG . 8.4 mm -62.03 -19.18 21.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.123 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -75.06 -14.66 60.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.002 0.43 . . . . 0.0 110.318 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -97.41 -79.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.906 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 55.57 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.725 0.64 . . . . 0.0 112.095 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG2' ' H ' ' A' ' 25' ' ' ASP . 82.1 tttt -135.51 -176.78 4.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.798 -177.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.781 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 20.6 m-20 72.62 97.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.035 0.921 . . . . 0.0 112.262 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.514 ' C ' HD22 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -135.7 20.8 3.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.709 173.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.77 -167.9 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.344 -1.298 . . . . 0.0 111.795 -172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.85 -40.04 9.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.66 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -88.75 35.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.756 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 32' ' ' VAL . 4.1 p -143.29 133.29 11.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.35 78.71 1.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.53 2.154 . . . . 0.0 112.128 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.1 p -164.16 148.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.832 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 10.9 m-70 76.35 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.872 0.732 . . . . 0.0 112.033 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.45 72.11 2.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.332 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.1 m -123.31 -173.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 38.8 t -165.53 173.94 10.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -178.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -56.61 -44.3 81.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 110.368 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -65.2 -37.8 88.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.902 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -58.78 -46.07 88.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 -179.016 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 4.6 mm? -59.81 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.75 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.76 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.04 -43.27 92.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.015 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.52 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 64.0 mtt -62.73 -42.13 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.377 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' LEU . 88.3 t -58.2 -38.92 71.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.197 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.69 -52.35 39.45 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.507 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 11.5 pt-20 -67.18 -25.97 66.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.1 mmt -62.46 -44.98 95.08 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.92 -28.61 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.694 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 6.7 mmpt? -63.91 -35.21 79.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 110.454 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.77 1.42 49.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.115 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.3 23.03 7.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.999 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 58.5 mt-10 -65.29 -53.51 39.04 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.689 178.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 98.2 Cg_endo -79.72 0.82 9.72 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.83 1.686 . . . . 0.0 113.353 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -84.97 166.86 16.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB2' HG22 ' A' ' 7' ' ' THR . 0.7 OUTLIER -126.96 29.52 5.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.11 0.481 . . . . 0.0 109.839 178.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG12 ' HG ' ' A' ' 58' ' ' LEU . 11.2 t -71.29 -28.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.051 -175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.576 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 22.3 m-70 66.88 30.53 7.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.04 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.719 ' HG ' HG12 ' A' ' 56' ' ' VAL . 43.1 mt -91.1 111.18 22.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.329 0.585 . . . . 0.0 111.155 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 51.5 mtpt -93.92 124.3 37.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.389 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.24 120.39 42.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -118.91 135.04 54.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.623 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.82 112.89 24.59 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -125.27 132.42 52.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.067 0.461 . . . . 0.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 2.9 p30 -98.08 158.24 15.66 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.744 -178.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HE3' ' CE1' ' A' ' 70' ' ' TYR . 19.2 ptpt -151.69 120.33 6.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tt 65.32 -79.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.611 0.57 . . . . 0.0 111.218 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.42 -15.16 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 0.0 110.597 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -106.2 162.08 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 9.3 p90 -143.46 124.59 14.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.82 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.523 ' CE1' ' HE3' ' A' ' 65' ' ' LYS . 24.9 p90 -131.36 167.64 18.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.95 127.74 63.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 111.059 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -92.62 126.56 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.084 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.2 t -95.17 112.73 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 67.5 mt -113.39 122.58 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.269 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -87.03 112.91 22.32 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 28.7 t70 -60.89 -30.86 70.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.926 -169.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -75.68 -35.33 60.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 111.267 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -90.04 -9.73 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.856 0.36 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.4 m120 69.89 0.67 3.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.187 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -115.74 152.8 32.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.386 0.612 . . . . 0.0 111.423 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 74' ' ' ILE . 3.9 p -73.98 108.3 5.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.089 172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.78 -35.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.356 -175.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -148.09 141.11 24.89 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -110.1 126.74 54.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.4 mt -106.77 114.64 61.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.647 0.26 . . . . 0.0 110.87 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.46 157.71 58.21 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.49 2.127 . . . . 0.0 111.743 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' TYR . 85.8 Cg_exo -45.94 -49.55 10.98 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.745 2.963 . . . . 0.0 114.164 -172.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 17.7 ptmt -64.24 -31.67 72.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' HD12 ' A' ' 20' ' ' ILE . 40.0 mtm-85 -96.04 1.63 52.76 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.61 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.35 -30.4 67.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 0.0 109.645 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 32' ' ' VAL . 67.5 mt -60.81 -47.0 88.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.377 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.49 -35.95 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 97' ' ' MET . 93.3 t80 -61.53 -44.89 96.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.91 -41.2 97.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.561 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.3 91.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.64 84.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.99 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 97.8 mmm -62.58 -38.83 91.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.747 -177.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 p -75.12 -37.18 61.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.3 mt-10 -66.01 -31.89 73.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 110.224 175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -82.4 -57.49 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.869 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.04 -27.0 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.56 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -71.78 -4.59 58.72 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.902 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 79.2 mt -88.67 -7.65 55.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.811 0.339 . . . . 0.0 110.787 175.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 3' ' ' ILE . 81.3 m-85 -112.35 12.68 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.56 HG13 ' HA2' ' A' ' 102' ' ' GLY . 34.9 m -77.08 155.01 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 111.594 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -88.99 84.77 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.401 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 10.2 tt0 33.26 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.08 1.352 . . . . 0.0 114.124 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -47.32 -41.38 19.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.32 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -87.83 25.55 1.5 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.296 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.2 pt? -78.77 -17.87 55.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.89 -55.23 0.65 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.433 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -83.65 159.5 21.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -80.97 64.4 5.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.336 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -87.91 -67.08 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.002 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.81 126.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.403 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -91.68 93.79 9.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.554 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.5 t60 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.99 179.024 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 88.6 mt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.887 0.375 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.61 138.56 44.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.07 0.462 . . . . 0.0 110.86 175.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' A' ' 54' ' ' SER . 15.2 tt -100.56 -16.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.153 0.501 . . . . 0.0 110.959 -176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' PRO . 37.5 mt-10 -68.57 -13.54 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.484 -171.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -133.39 20.62 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.334 0.588 . . . . 0.0 110.508 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -78.12 119.07 21.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.238 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -129.8 19.43 5.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 111.386 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -128.46 137.81 51.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.308 0.575 . . . . 0.0 111.685 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -124.08 22.82 8.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.138 171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 18.3 tp60 -55.83 -49.69 91.47 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.126 -176.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 33.4 Cg_exo -60.88 -29.8 88.82 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.949 1.766 . . . . 0.0 112.303 178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.11 -44.02 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.158 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' HH2' ' HG2' ' A' ' 83' ' ' ARG . 13.4 m95 -63.62 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.327 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.04 -48.91 76.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.129 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -61.36 -45.76 93.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.003 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 54.2 t80 -54.46 -51.95 63.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.1 -42.39 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.661 ' HA ' ' NE2' ' A' ' 21' ' ' HIS . 21.7 p -73.45 -9.86 59.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -104.35 -36.38 7.62 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.032 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.606 HD12 ' HD3' ' A' ' 89' ' ' ARG . 16.4 mm -58.2 -25.07 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.062 0.458 . . . . 0.0 110.786 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.661 ' NE2' ' HA ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -99.84 17.45 20.76 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.84 0.353 . . . . 0.0 111.844 177.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 25' ' ' ASP . 60.2 t30 -143.03 102.83 4.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -90.54 124.5 35.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -172.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 73.71 -0.31 3.4 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.879 166.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . 29.9 t70 -94.1 84.97 4.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t30 177.23 138.76 0.07 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 -173.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -98.4 55.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.817 0.818 . . . . 0.0 109.668 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -178.51 176.1 1.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 56.58 72.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 111.372 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 16.0 m -120.54 166.27 15.95 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.157 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 30' ' ' VAL . 15.4 Cg_endo -58.0 107.66 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.33 2.02 . . . . 0.0 111.856 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 10.3 p -145.99 158.59 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 79.88 -33.5 0.13 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.07 0.856 . . . . 0.0 110.965 178.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 68.19 157.07 0.13 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.033 0.833 . . . . 0.0 109.35 -172.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -127.88 105.88 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.619 -0.676 . . . . 0.0 109.225 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.7 p -125.65 33.68 5.06 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.759 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 t80 69.98 -57.41 0.56 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.566 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 m -59.12 -42.72 91.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.606 0.717 . . . . 0.0 109.922 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -67.03 -28.81 68.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.352 -176.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.0 tp -65.74 -42.36 91.05 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.26 -23.18 67.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 7.8 mm-40 -64.13 -56.82 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.392 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 4.8 mpp? -71.93 -33.81 68.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.379 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 40' ' ' LEU . 72.9 t -66.64 -40.07 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 110.151 176.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.3 -49.1 77.56 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.9 pt-20 -66.47 -37.35 84.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.663 0.268 . . . . 0.0 110.417 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.7 ttm -65.69 -40.05 91.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.18 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 45.5 m-20 -56.93 -39.62 74.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.966 177.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.71 -10.95 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.394 -175.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 97.1 mt -77.34 -23.12 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.479 0.656 . . . . 0.0 110.032 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD22 ' HB ' ' A' ' 56' ' ' VAL . 97.3 mt -113.28 20.81 15.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.973 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 33.0 mt-10 -92.34 -50.73 0.29 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.679 174.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 5.3 Cg_exo -80.56 2.84 8.21 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.414 2.076 . . . . 0.0 112.324 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 51' ' ' LEU . 10.7 p -108.24 175.0 5.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.191 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 18.3 mm-40 -86.6 -18.08 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.76 0.314 . . . . 0.0 110.788 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HB ' HD22 ' A' ' 51' ' ' LEU . 5.2 t -78.74 77.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.04 84.21 6.55 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.218 0.532 . . . . 0.0 110.728 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' HG12 ' A' ' 56' ' ' VAL . 74.1 mt -95.79 120.78 36.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.367 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 25.8 mtpp -95.21 108.65 20.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.799 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' CE2' HG22 ' A' ' 73' ' ' VAL . 96.6 m-85 -88.93 129.38 35.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 63' ' ' HIS . 13.5 mm-40 -117.92 134.91 54.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.9 tp -97.13 120.58 37.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 61' ' ' GLU . 82.7 m-70 -137.44 125.04 22.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.946 0.403 . . . . 0.0 110.206 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.582 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 10.0 p-10 -99.84 149.02 23.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.322 -177.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 15.2 ptmt -114.44 -139.82 0.38 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.759 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.68 -54.01 16.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.478 0.311 . . . . 0.0 111.029 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -140.4 -32.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 111.304 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 44.6 mt-10 -88.3 152.78 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 0.0 111.066 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 17.7 p90 -127.6 126.6 42.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.329 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.4 p90 -126.68 169.86 12.7 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.307 -174.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.49 126.37 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.041 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 17.7 mtpp -95.53 136.59 35.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.977 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.507 HG22 ' CE2' ' A' ' 60' ' ' PHE . 49.9 t -101.92 113.58 38.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 81' ' ' VAL . 70.3 mt -110.52 113.42 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.5 tm-20 -70.63 117.0 11.6 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.02 -43.04 81.44 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -67.61 -25.59 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 110.903 -172.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.461 ' HB ' ' HG2' ' A' ' 80' ' ' GLU . 5.0 p -103.71 -28.67 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.586 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.76 21.15 7.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.38 0.672 . . . . 0.0 110.91 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG2' ' HB ' ' A' ' 78' ' ' THR . 11.1 pt-20 -109.5 158.0 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.056 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG12 ' A' ' 74' ' ' ILE . 44.8 t -86.23 111.73 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.883 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 75' ' ' GLU . 30.9 pt -98.27 -10.13 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.812 -176.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' HH2' ' A' ' 13' ' ' TRP . 7.6 tpt180 -162.62 148.35 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -132.59 116.67 16.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 3.4 mp -102.54 121.25 50.46 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 110.449 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.93 153.32 47.39 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.663 2.242 . . . . 0.0 111.689 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.1 -32.6 97.61 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 122.914 2.409 . . . . 0.0 112.811 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -13.08 61.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.783 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD3' HD12 ' A' ' 20' ' ' ILE . 55.4 mtt-85 -132.37 22.82 4.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 111.424 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.9 -37.94 73.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' H ' HD12 ' A' ' 91' ' ' LEU . 6.2 mp -64.82 -35.47 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.39 -50.24 72.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 109.803 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -67.49 -45.31 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.996 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.3 -46.93 88.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.683 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 98' ' ' THR . . . -62.21 -41.86 98.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.216 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.87 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.6 mtp -81.32 -35.92 30.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 95' ' ' ALA . 12.3 t -71.36 -27.14 63.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.293 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 26.1 mt-10 -76.7 -29.55 56.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.504 172.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.67 -57.8 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.303 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mp -81.08 -12.96 59.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.95 -16.29 78.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.476 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 91.0 mt -76.45 -16.22 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.035 0.445 . . . . 0.0 110.223 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 1' ' ' LEU . 80.8 m-85 -100.94 -40.28 7.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.823 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.47 100.21 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.812 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.65 14.45 12.65 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.07 0.938 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 110' ' ' LEU . 36.1 tt0 -69.64 -66.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.419 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -86.05 -0.93 56.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -94.36 10.69 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.911 170.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 107' ' ' GLU . 1.4 pt? -67.59 -21.0 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.532 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 69.8 -50.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.018 0.927 . . . . 0.0 111.948 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -80.16 89.58 5.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.472 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -167.7 77.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 50.93 90.78 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.006 0.816 . . . . 0.0 111.872 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -86.51 124.79 33.21 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.494 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -103.2 77.71 1.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 167.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.9 t60 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.626 -167.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -88.76 112.32 23.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.156 0.503 . . . . 0.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' SER . 16.0 tt -69.43 -23.29 26.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.584 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -56.39 -26.8 54.32 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.729 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -123.13 19.28 9.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.28 0.562 . . . . 0.0 110.027 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.59 119.57 20.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.393 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 55' ' ' GLN . 3.5 t -142.98 73.48 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.52 0.676 . . . . 0.0 110.786 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -169.7 126.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.918 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 58' ' ' LEU . 89.7 mt -106.58 8.37 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 23.7 tp60 -56.27 -49.97 90.27 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.199 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 34.0 Cg_exo -62.21 -28.33 79.28 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.871 1.714 . . . . 0.0 112.045 177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.59 -48.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -61.44 -38.49 87.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.832 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.21 -52.16 66.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.35 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 60.1 mtt180 -70.73 -25.19 62.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.315 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.07 -41.24 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.617 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 15.1 t70 -60.49 -52.76 63.83 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.074 -0.714 . . . . 0.0 109.074 174.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -54.68 -44.18 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.565 0.541 . . . . 0.0 111.615 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.93 -41.17 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.528 177.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 17' ' ' ASP . 1.2 mp -58.45 -10.64 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.617 ' HD2' ' O ' ' A' ' 17' ' ' ASP . 13.5 m-70 -95.33 -2.26 49.59 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.034 -0.416 . . . . 0.0 111.002 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.651 HD21 ' HE2' ' A' ' 24' ' ' LYS . 52.5 t30 -154.14 90.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.523 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.19 94.86 9.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.446 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.651 ' HE2' HD21 ' A' ' 22' ' ' ASN . 56.3 pttt -160.14 158.47 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.0 94.81 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.777 0.799 . . . . 0.0 109.845 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -96.36 159.56 14.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.641 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 19.0 m-20 62.85 -92.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.145 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 172.02 -29.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -83.33 24.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.761 -170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.6 p -131.28 126.74 21.53 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 14.6 Cg_exo -67.68 147.29 75.61 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.888 2.392 . . . . 0.0 110.989 173.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 33' ' ' HIS . 14.6 p -146.09 124.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.582 . . . . 0.0 110.731 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CD2' HG22 ' A' ' 32' ' ' VAL . 88.5 m-70 69.89 163.25 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.627 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 62.94 24.49 14.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.897 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 40' ' ' LEU . 44.6 t -75.81 93.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -84.42 173.57 10.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.296 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.52 -38.33 66.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -65.7 -35.55 81.07 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.553 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 87' ' ' PRO . 3.9 mm? -53.04 -54.36 36.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.52 174.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.29 81.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 111.208 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -55.36 15.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.129 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.3 mtp -67.77 -29.02 68.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.686 -173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' LEU . 55.3 t -70.83 -47.49 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' OD1' ' A' ' 48' ' ' ASN . . . -59.33 -40.11 95.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.54 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.6 pt-20 -72.01 -26.66 62.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.831 0.315 . . . . 0.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 50' ' ' LEU . 49.3 ttm -77.95 -34.04 51.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 13.9 m120 -51.87 -54.51 28.28 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -67.63 -12.7 61.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.091 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 85.7 mt -80.63 -30.13 36.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.86 2.83 30.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.252 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 46.0 mm-40 -67.19 -49.58 44.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.712 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 Cg_exo -64.47 -23.44 64.73 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.248 1.965 . . . . 0.0 112.839 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 51.1 p -84.92 169.0 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 80.7 mm-40 -78.69 -20.98 48.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' A' ' 58' ' ' LEU . 18.5 t -82.61 85.03 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.337 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -83.32 85.28 7.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.177 0.513 . . . . 0.0 110.218 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' A' ' 56' ' ' VAL . 92.5 mt -81.22 120.54 25.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.299 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE2' ' OD1' ' A' ' 76' ' ' ASP . 47.3 mtmt -93.09 121.19 34.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 69.6 m-85 -105.63 121.04 43.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.865 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.23 134.46 55.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.416 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -93.35 116.24 28.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.705 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -127.54 136.69 52.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.259 0.552 . . . . 0.0 110.739 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.01 160.32 16.12 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.137 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -166.9 130.28 1.87 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.53 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp 64.85 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.06 9.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.032 0.444 . . . . 0.0 110.127 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -114.16 154.68 27.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -154.01 116.29 4.33 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 84' ' ' GLU . 6.7 p90 -128.99 174.93 9.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.187 0.518 . . . . 0.0 111.873 -174.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 60' ' ' PHE . 48.1 t -98.37 118.88 45.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.423 -173.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 22.0 mtpp -81.74 121.12 26.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.769 175.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.5 t -96.44 114.33 33.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.992 0.425 . . . . 0.0 110.041 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.415 HG12 HG22 ' A' ' 81' ' ' VAL . 65.9 mt -116.64 117.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HB2' HD13 ' A' ' 82' ' ' ILE . 25.1 tt0 -75.62 108.4 8.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.464 ' OD1' ' HE2' ' A' ' 59' ' ' LYS . 24.7 t70 -65.63 -15.83 63.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -170.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -76.86 -28.21 55.35 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.178 -0.326 . . . . 0.0 111.433 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -106.57 -19.73 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.41 20.41 10.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.774 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.32 155.43 26.25 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.587 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 74' ' ' ILE . 25.9 t -82.14 98.35 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 75' ' ' GLU . 28.4 pt -82.87 -14.01 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.152 -173.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -166.52 151.1 7.64 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.491 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 58.8 mt-10 -124.94 103.24 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 62.2 mt -99.24 120.23 58.61 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.459 -172.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HA ' ' HB3' ' A' ' 70' ' ' TYR . 33.3 Cg_endo -64.5 145.46 87.62 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.839 2.359 . . . . 0.0 111.573 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HB3' HD11 ' A' ' 40' ' ' LEU . 23.0 Cg_endo -61.78 -23.05 75.67 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.729 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -75.29 -16.25 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HA ' ' OD1' ' A' ' 92' ' ' ASP . 68.8 mtm-85 -116.3 7.9 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.375 0.607 . . . . 0.0 110.125 175.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -70.99 -27.75 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.269 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 35' ' ' VAL . 79.3 mt -66.0 -46.27 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.309 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.539 ' OD1' ' HA ' ' A' ' 89' ' ' ARG . 2.5 m-20 -60.87 -40.7 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.761 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.14 -43.98 90.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.416 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -61.73 -39.47 91.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.94 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.195 0.522 . . . . 0.0 110.616 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -64.08 -48.02 77.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.698 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -68.78 -24.56 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.9 -43.24 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.506 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -81.55 -54.97 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.56 -20.06 64.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.383 . . . . 0.0 110.155 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.622 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -79.86 1.62 78.08 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.044 177.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.89 -14.33 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.603 0.716 . . . . 0.0 109.352 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 90.5 m-85 -101.27 17.21 23.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.622 HG13 ' HA2' ' A' ' 102' ' ' GLY . 15.2 m -68.29 90.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 122.04 0.924 . . . . 0.0 111.833 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.742 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 4.6 t70 -59.79 -66.99 0.43 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.19 172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 172.18 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.487 -1.688 . . . . 0.0 108.309 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 2.6 mmmp? -67.04 -12.64 60.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.116 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.742 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -91.54 -15.16 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 -176.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -66.03 -47.12 75.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.472 -170.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 110' ' ' LEU . 59.9 tt0 68.22 -37.61 0.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.233 1.013 . . . . 0.0 112.986 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -60.55 108.69 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 9.4 p80 -56.95 108.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.26 -175.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 18.5 t-80 173.14 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.31 178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 66.27 88.75 0.1 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.673 175.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.403 ' H ' HD13 ' A' ' 110' ' ' LEU . 76.6 t60 -108.97 120.19 41.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.048 -175.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 88.8 mt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 48.82 95.79 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.88 0.872 . . . . 0.0 112.656 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG2' ' A' ' 53' ' ' PRO . 17.2 tt -64.94 -20.04 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.712 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -15.29 61.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.448 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -119.58 10.05 11.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.229 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.23 97.97 3.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.992 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.571 ' HA ' HG13 ' A' ' 56' ' ' VAL . 9.3 t -118.58 15.29 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -134.11 130.99 38.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.221 0.534 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.47 20.99 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.217 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -53.48 -53.21 59.22 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.175 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -56.08 -25.63 55.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.256 1.971 . . . . 0.0 112.973 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -79.17 -50.44 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 9.4 m95 -59.44 -40.74 87.74 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.36 -48.19 79.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.632 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ALA . 46.6 ttt-85 -71.3 -31.22 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -68.17 -52.26 36.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.78 -35.98 82.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -69.17 -10.68 58.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -97.83 -52.13 3.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.413 0.625 . . . . 0.0 110.094 170.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.507 HD12 ' HD3' ' A' ' 89' ' ' ARG . 17.8 mm -59.44 -32.71 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.635 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.76 1.05 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.74 114.02 15.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.92 0.39 . . . . 0.0 111.42 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -116.41 15.5 15.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.468 0.651 . . . . 0.0 109.649 171.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 95.65 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.693 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -163.09 165.35 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.38 -27.81 65.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 67.56 85.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.893 0.854 . . . . 0.0 110.779 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -129.88 -49.37 1.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.7 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -96.15 64.01 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 0.0 110.778 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.34 128.23 45.68 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.673 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.91 112.03 3.41 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.757 2.305 . . . . 0.0 111.672 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 34' ' ' GLN . 44.3 t -100.9 -63.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.356 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.42 -4.43 1.35 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.008 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.817 ' H ' HG12 ' A' ' 32' ' ' VAL . 36.3 tt0 51.81 73.14 0.34 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -171.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.0 119.91 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.256 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.477 ' H ' ' HB2' ' A' ' 39' ' ' ASN . 12.1 m -128.3 161.84 28.45 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.805 -170.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 0.0 109.73 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -63.88 -37.69 88.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.666 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.477 ' HB2' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -65.14 -50.32 66.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -175.044 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 69' ' ' TYR . 72.2 mt -66.29 -48.41 70.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.202 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.28 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 110.928 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.51 -52.42 52.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.87 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.5 mtp -73.46 -30.03 62.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.168 -173.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.02 -35.14 58.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.142 0.496 . . . . 0.0 109.762 174.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.04 -47.32 91.79 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.093 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.64 -21.72 60.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.09 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.598 ' HE2' ' HA ' ' A' ' 94' ' ' TYR . 1.7 tpt -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.175 0.512 . . . . 0.0 109.962 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.47 -27.29 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.91 -36.88 83.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.181 0.515 . . . . 0.0 110.464 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HB2' HD12 ' A' ' 51' ' ' LEU . 94.4 mt -64.87 -34.73 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.554 -172.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 58' ' ' LEU . 6.1 mp -110.33 4.86 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.373 -172.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -52.19 68.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.603 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.599 ' HG2' HD13 ' A' ' 3' ' ' ILE . 94.9 Cg_endo -81.37 22.95 0.78 Allowed 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.0 1.8 . . . . 0.0 113.47 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.2 p -119.66 177.44 4.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 15.0 mm-40 -78.14 -34.57 49.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.293 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 7' ' ' THR . 6.0 m -62.83 -35.61 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASP . 7.9 m-70 50.7 35.42 11.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB2' HD22 ' A' ' 51' ' ' LEU . 1.3 mp -53.2 137.4 34.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.815 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 34.5 mttp -99.42 125.23 45.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.895 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.68 116.18 29.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.25 137.87 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.82 115.52 27.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -124.33 135.87 53.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.266 0.555 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' A' ' 69' ' ' TYR . 7.3 p-10 -98.98 -179.66 4.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.846 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 68' ' ' GLU . 20.8 ptmt -159.57 -146.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 74.7 mt -41.67 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.467 0.479 . . . . 0.0 111.55 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -136.0 -32.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.677 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.816 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 23.6 mt-10 -80.39 102.02 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.172 0.511 . . . . 0.0 112.04 -175.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -85.53 102.13 13.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 48.2 p90 -108.57 174.98 5.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.629 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -103.38 131.26 52.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.126 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -102.06 131.84 48.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 83' ' ' ARG . 49.7 t -100.18 114.38 38.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.815 ' HB ' ' HB2' ' A' ' 59' ' ' LYS . 71.2 mt -112.22 119.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 82' ' ' ILE . 3.7 tm-20 -76.83 124.33 27.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 21.6 t70 -64.07 -41.36 97.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -167.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 t -64.86 -37.22 86.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.87 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 p -93.84 -20.99 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 57.9 32.01 21.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.462 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -123.6 156.76 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.1 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 74' ' ' ILE . 27.6 t -82.97 110.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 75' ' ' GLU . 32.6 pt -96.66 -9.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.659 -176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 29.6 tpt180 -158.13 140.18 14.08 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.51 120.12 31.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 4.9 mp -110.42 118.29 49.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.846 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -69.25 144.0 55.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.162 1.908 . . . . 0.0 110.738 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.31 -29.61 58.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.295 2.664 . . . . 0.0 112.91 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -69.38 -17.09 63.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.977 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 20' ' ' ILE . 69.9 mtt180 -120.0 8.3 11.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.225 0.536 . . . . 0.0 110.243 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -70.73 -33.36 70.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.615 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 91' ' ' LEU . 2.5 mm? -64.86 -39.54 93.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.604 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -76.09 -33.55 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.656 0.265 . . . . 0.0 110.896 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.99 -40.61 95.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.598 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 86.4 t80 -56.57 -54.47 45.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.302 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -57.21 -47.28 81.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . . . -56.01 -38.69 70.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.713 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.569 ' HG3' HD23 ' A' ' 101' ' ' LEU . 45.5 ttm -78.32 -46.96 18.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.0 m -62.17 -39.82 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.0 mt-10 -59.95 -35.56 75.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 0.0 110.848 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -82.88 -57.05 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.569 HD23 ' HG3' ' A' ' 97' ' ' MET . 4.5 mm? -63.81 -40.06 95.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.11 -174.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 105' ' ' VAL . . . -70.37 -8.91 63.4 Favored Glycine 0 C--O 1.229 -0.196 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.976 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 99' ' ' GLU . 78.3 mt -82.16 -24.34 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.077 0.465 . . . . 0.0 110.265 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB3' ' HB ' ' A' ' 3' ' ' ILE . 14.0 m-85 -88.67 -22.71 23.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.88 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 ' HA2' ' A' ' 102' ' ' GLY . 26.6 m -78.19 166.2 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.399 0.619 . . . . 0.0 112.514 -173.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 108' ' ' LYS . 22.6 t70 -57.18 106.76 0.35 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.241 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' O ' HD22 ' A' ' 110' ' ' LEU . 23.0 tt0 -54.16 13.69 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.582 -1.644 . . . . 0.0 114.712 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 106' ' ' ASP . 82.1 mttt -106.24 -25.12 12.1 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 121.471 -0.768 . . . . 0.0 110.677 169.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 106' ' ' ASP . 13.2 mptt -96.64 13.39 28.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.666 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 107' ' ' GLU . 2.0 pt? -75.63 -19.67 59.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.726 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 71.43 -51.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.032 0.832 . . . . 0.0 111.879 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.47 114.73 16.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 32.1 p-80 -85.01 148.06 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 9.9 m170 67.29 114.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 110.455 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -84.52 -177.33 6.58 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.9 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -117.94 160.97 20.53 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.449 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.387 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.499 ' HB2' ' OE1' ' A' ' 4' ' ' GLU . 8.0 p30 -72.59 157.45 37.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 53' ' ' PRO . 14.8 tt -116.34 -8.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.392 0.615 . . . . 0.0 110.525 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' HB2' ' A' ' 2' ' ' ASN . 30.5 mp0 -63.94 -24.32 67.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.434 -177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -111.66 13.43 21.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.427 0.632 . . . . 0.0 109.347 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.11 95.61 1.25 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.357 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 55' ' ' GLN . 44.4 p -105.57 5.77 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.5 -175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -141.32 149.41 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.14 0.495 . . . . 0.0 111.692 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HG ' HG11 ' A' ' 56' ' ' VAL . 74.3 mt -125.54 24.04 7.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.852 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 52.9 tp60 -53.86 -49.57 88.66 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.223 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 10' ' ' GLN . 32.3 Cg_exo -60.9 -19.63 63.16 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.913 1.742 . . . . 0.0 112.606 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.27 -47.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -60.48 -43.79 96.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 177.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.8 -46.1 78.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.966 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -76.57 -36.34 57.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.823 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.74 -51.76 67.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.69 -37.36 87.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.08 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p -77.8 -9.79 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.12 -41.27 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.952 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.701 HD12 ' HD3' ' A' ' 89' ' ' ARG . 6.7 mm -57.06 -34.78 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.62 0.23 43.98 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.738 -176.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -148.93 79.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -120.44 141.34 50.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.612 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -151.31 -134.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.53 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.27 -53.63 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.312 0.577 . . . . 0.0 109.934 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -109.25 87.94 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 14.5 m-20 -65.12 -69.98 0.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.285 -171.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -138.83 -113.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.57 -0.93 54.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.778 0.799 . . . . 0.0 109.882 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 p -149.98 116.63 3.53 Favored Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.563 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 72.6 Cg_endo -83.12 156.13 14.9 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.84 2.36 . . . . 0.0 112.869 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.619 HG13 ' HB2' ' A' ' 91' ' ' LEU . 92.5 t -82.38 106.16 12.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.822 0.82 . . . . 0.0 111.1 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' ND1' ' HG3' ' A' ' 34' ' ' GLN . 7.0 p80 -163.5 178.58 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.344 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 57.5 mt-30 68.74 -161.57 0.19 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.648 0.593 . . . . 0.0 110.762 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 34' ' ' GLN . 92.5 t 86.31 112.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.752 0.821 . . . . 0.0 111.814 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 m -108.83 -172.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.439 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.6 -53.52 56.61 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.305 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -69.58 -32.34 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.18 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.93 -35.17 74.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' VAL . 88.3 mt -55.21 -53.5 55.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 110.398 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.6 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.0 mtm -71.91 -30.03 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.276 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' LEU . 56.4 t -63.02 -39.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.83 99.71 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.592 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 43' ' ' MET . 12.4 pt-20 -79.34 -19.69 49.67 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.474 -0.427 . . . . 0.0 110.476 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.549 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.71 -35.41 80.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 172.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.86 95.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.685 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -73.19 -15.31 61.45 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.539 -176.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 101' ' ' LEU . 72.7 mt -82.21 -28.63 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.53 17.86 18.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.202 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -60.54 -57.8 23.9 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.133 -176.146 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 1.3 Cg_endo -86.01 2.12 7.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.203 1.935 . . . . 0.0 112.24 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.412 ' OG ' HG22 ' A' ' 56' ' ' VAL . 40.5 t -77.83 154.18 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.987 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 7' ' ' THR . 3.9 tp-100 -84.61 -18.82 34.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.129 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' HG ' ' A' ' 9' ' ' LEU . 28.2 m -58.3 -35.5 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.066 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 27.6 m170 55.53 73.36 0.43 Allowed 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.536 0.522 . . . . 0.0 111.439 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.1 131.74 49.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 0.0 111.448 174.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -115.33 138.98 50.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.602 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 44' ' ' VAL . 64.3 m-85 -123.04 134.57 54.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.937 -175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.82 135.84 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.666 0.269 . . . . 0.0 110.916 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.15 91.21 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 13.4 m-70 -98.95 134.97 41.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.516 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.99 134.44 34.23 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -98.54 -99.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.09 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 tp -102.28 -49.63 3.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -146.47 7.18 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.78 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 163.75 16.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.431 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' O ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -135.17 143.17 46.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.634 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -157.15 169.66 24.28 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.805 0.336 . . . . 0.0 111.016 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.2 109.13 23.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.721 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HE3' HG11 ' A' ' 81' ' ' VAL . 17.2 mtpp -78.55 124.38 28.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.426 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' ' 83' ' ' ARG . 67.5 t -97.01 115.64 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.989 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.47 HG12 HG22 ' A' ' 81' ' ' VAL . 68.7 mt -111.82 111.78 37.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.225 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.53 114.67 17.65 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 57' ' ' HIS . 31.7 t70 -62.89 -24.76 67.98 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 111.476 -175.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 m -63.63 -30.08 71.23 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -112.1 -25.32 9.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.86 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.97 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -134.12 161.08 35.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.737 173.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG11 ' HE3' ' A' ' 72' ' ' LYS . 41.6 t -79.2 98.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 pt -76.8 -22.57 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' ' HB ' ' A' ' 73' ' ' VAL . 19.3 ptt180 -164.36 156.93 16.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.173 0.511 . . . . 0.0 111.813 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -124.49 105.87 9.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.974 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -86.66 118.28 69.95 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.41 147.89 59.65 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.455 2.103 . . . . 0.0 111.01 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.12 -23.88 46.82 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.118 2.546 . . . . 0.0 113.362 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -84.93 -8.12 58.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.701 ' HD3' HD12 ' A' ' 20' ' ' ILE . 68.5 mtt180 -111.23 -2.49 15.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.336 0.588 . . . . 0.0 109.922 172.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -67.61 -37.47 82.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.619 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 mm? -64.38 -41.31 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.39 -46.68 89.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.595 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.6 -42.0 98.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.038 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.61 -43.72 80.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -66.29 -52.71 44.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.12 -40.3 61.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.95 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.559 ' HG3' HD12 ' A' ' 101' ' ' LEU . 38.1 ttm -68.71 -51.65 39.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.713 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.9 t -71.7 -24.66 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 47.3 mt-10 -68.03 -36.07 79.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 110.187 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.26 -56.09 3.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.324 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.559 HD12 ' HG3' ' A' ' 97' ' ' MET . 82.9 mt -72.97 -6.74 47.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 105' ' ' VAL . . . -73.9 2.56 41.21 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.52 -18.58 21.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.127 0.489 . . . . 0.0 110.529 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -101.98 20.28 16.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.268 0.556 . . . . 0.0 110.009 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.981 ' HB ' HD21 ' A' ' 110' ' ' LEU . 17.2 m -81.76 138.39 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 122.225 1.012 . . . . 0.0 113.626 -170.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.5 106.84 17.52 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.524 -1.671 . . . . 0.0 109.056 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -8.24 -61.05 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 O-C-N 125.213 1.571 . . . . 0.0 114.513 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.72 -26.53 67.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -97.01 8.87 43.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 111.013 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.981 HD21 ' HB ' ' A' ' 105' ' ' VAL . 55.9 mt -83.78 -22.73 31.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 43.87 32.37 0.6 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.388 1.055 . . . . 0.0 111.954 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.412 ' H ' ' CD2' ' A' ' 112' ' ' HIS . 3.1 p80 -83.18 104.41 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.269 0.556 . . . . 0.0 111.503 -175.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -82.65 -17.08 45.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -80.55 141.98 34.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.413 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.16 -38.78 87.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.633 0.254 . . . . 0.0 111.008 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -155.15 -61.45 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.636 -178.426 . . . . . . . . 0 0 . 1 stop_ save_