data_2js4_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 2js4 _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 ' 9' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 18' ' ' LEU . 3.7 tt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 30' ' ' ASN . 0.9 OUTLIER -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.403 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 18' ' ' LEU . 90.2 mt . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.666 0.269 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.589 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HD3' ' HE3' ' A' ' 45' ' ' MET . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HA ' HD21 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.576 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.48 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 18' ' ' LEU . 1.6 mm? . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.931 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.931 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.668 HD13 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HA ' HD21 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.685 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.432 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 27' ' ' LEU . 97.6 mt . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 1.01 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' HA ' HD22 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 18' ' ' LEU . 75.2 mt . . . . . 0 C--O 1.236 0.363 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HG ' ' CG ' ' A' ' 32' ' ' ASP . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.244 0.545 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.465 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.473 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HD22 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 5.6 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.527 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG13 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.59 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HB2' HG22 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.498 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.417 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.724 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.433 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.4 0.619 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' HD22 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB3' HD13 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.605 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HG ' ' CG ' ' A' ' 32' ' ' ASP . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.507 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.5 ' CG ' ' HG ' ' A' ' 11' ' ' CYS . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.51 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.474 ' HB2' HD23 ' A' ' 34' ' ' LEU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -106.92 127.1 53.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.945 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -99.97 140.97 33.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.208 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -109.28 -91.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp 65.89 147.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.44 19.46 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.189 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -96.5 96.04 8.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.424 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.76 -44.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.471 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' LEU . 1.9 mm? -125.37 117.95 24.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.98 -7.56 36.12 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.38 -30.97 10.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.162 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.99 104.63 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.27 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -81.8 170.83 15.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.409 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.19 111.23 59.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.79 115.43 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.817 2.345 . . . . 0.0 111.602 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.13 101.94 5.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 0.0 110.933 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -133.59 99.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.58 101.31 0.64 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.21 2.607 . . . . 0.0 113.361 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 m 35.02 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.822 1.249 . . . . 0.0 114.133 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.28 90.84 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -155.04 146.27 22.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.545 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -86.17 83.5 7.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -93.81 134.63 35.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.778 -172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -68.14 131.76 45.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.443 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -133.77 -168.0 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.8 t60 74.33 -50.5 0.68 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.694 0.798 . . . . 0.0 111.28 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.408 177.226 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 121.585 0.707 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.27 174.52 7.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.032 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m 66.72 9.1 6.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.134 0.492 . . . . 0.0 111.079 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.871 HH12 ' HA ' ' A' ' 7' ' ' ASP . 3.9 tpm_? -81.17 -1.89 46.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.16 -7.73 44.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -103.18 84.06 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.871 ' HA ' HH12 ' A' ' 4' ' ' ARG . 22.7 m-20 -80.83 85.43 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.605 0.717 . . . . 0.0 111.3 -175.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.69 21.96 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.888 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 18' ' ' LEU . 3.7 tt -62.58 130.9 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.444 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 30' ' ' ASN . 0.9 OUTLIER -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.403 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -115.29 -4.1 12.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.27 -32.08 15.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.756 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.62 91.37 3.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.197 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.34 -174.92 3.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.726 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.77 137.21 21.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.88 127.8 27.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.868 2.379 . . . . 0.0 112.405 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.31 171.81 14.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.96 138.13 35.18 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.979 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -51.06 -53.98 6.23 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.341 2.694 . . . . 0.0 112.627 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 p -92.51 100.94 13.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.659 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.12 157.82 15.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.339 . . . . 0.0 111.31 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.26 94.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.807 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 t60 53.64 35.14 20.34 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.81 0.694 . . . . 0.0 111.026 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -106.47 130.97 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.8 t60 67.48 29.46 7.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.888 0.742 . . . . 0.0 110.571 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' A' ' 70' ' ' HIS . 85.2 t60 -73.91 99.86 3.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.173 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 73.19 -32.68 0.25 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.544 0.737 . . . . 0.0 111.98 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 68' ' ' HIS . 4.9 p80 . . . . . 0 C--O 1.246 0.897 0 C-N-CA 124.778 1.231 . . . . 0.0 110.95 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.636 0.255 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -125.92 97.13 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.593 0.235 . . . . 0.0 110.81 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -172.64 -68.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.316 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 60.66 87.44 0.09 Allowed 'General case' 0 C--O 1.233 0.219 0 O-C-N 124.017 0.823 . . . . 0.0 110.681 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -153.74 117.88 4.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.225 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.2 48.47 2.9 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.06 -63.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.1 mm -83.0 -91.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.258 -174.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 18' ' ' LEU . 90.2 mt -147.17 134.01 20.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.467 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.589 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.78 -11.83 24.46 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.03 -37.56 8.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.536 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -96.58 27.11 4.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.76 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.33 22.03 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.988 0.899 . . . . 0.0 109.841 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.8 106.4 54.84 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.37 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.13 138.07 46.16 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 111.986 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.15 -3.64 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.029 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.41 142.69 37.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.842 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.99 -169.59 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.216 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.1 m -79.77 176.07 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.0 mp 66.99 17.96 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.447 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.22 135.03 55.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -82.32 24.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -93.44 85.1 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.452 0.644 . . . . 0.0 110.901 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -103.26 132.55 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.49 132.37 49.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 111.159 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -90.74 2.37 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.663 0.744 . . . . 0.0 109.436 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.515 178.709 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.51 86.26 2.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.192 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -150.62 124.25 9.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.799 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -100.27 90.07 4.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.4 63.05 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.188 0.518 . . . . 0.0 111.165 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.72 -178.86 3.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.638 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 63.54 23.17 13.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.6 pt -97.26 -17.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.663 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt -96.14 105.33 17.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HD3' ' HE3' ' A' ' 45' ' ' MET . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HA ' HD21 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.576 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.48 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.4 -2.37 58.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.51 -49.51 16.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.173 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.96 79.65 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.936 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.02 143.66 33.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.775 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 119.95 51.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.879 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.0 144.26 46.36 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.812 2.341 . . . . 0.0 112.488 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.92 136.53 33.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.56 159.42 74.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.053 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 97.46 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.892 2.395 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -124.83 18.38 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.62 110.19 21.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.81 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -171.81 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.4 85.0 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.442 0.639 . . . . 0.0 110.027 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -86.24 116.57 24.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.897 -171.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -114.85 -27.47 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 51.21 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.084 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.34 131.27 5.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.678 177.68 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.668 0.271 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -123.55 109.87 14.33 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.425 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -69.26 -74.05 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -149.13 146.89 27.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.49 114.21 23.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.131 0.491 . . . . 0.0 110.861 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -109.3 142.95 39.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.614 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -92.23 -72.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 pp -149.14 164.29 4.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.999 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt -142.19 152.16 42.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.54 -10.73 39.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -87.67 -31.9 19.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.586 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.51 -3.46 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.878 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.17 161.81 13.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.923 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -77.0 115.25 46.95 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.553 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 16.6 Cg_exo -67.04 134.53 34.52 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.861 2.374 . . . . 0.0 112.048 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 136.83 56.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.459 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -67.33 148.86 98.66 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.227 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.91 126.48 15.02 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.242 2.628 . . . . 0.0 112.55 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -56.08 136.28 52.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.34 125.2 23.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.599 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 65.66 94.43 0.06 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.89 0.744 . . . . 0.0 110.691 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -80.55 74.6 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.875 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.34 113.13 16.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -83.57 142.41 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.114 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -88.32 106.73 18.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.774 0.321 . . . . 0.0 110.297 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -147.94 143.53 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.89 176.242 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.158 0.504 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.81 99.03 11.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 64.71 -170.61 0.19 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.952 0.782 . . . . 0.0 109.677 -170.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -78.95 -70.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.95 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.37 115.06 9.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.869 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.57 22.72 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.362 0.601 . . . . 0.0 110.993 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -157.14 102.2 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 9' ' ' LEU . 19.9 pt -113.22 -54.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 18' ' ' LEU . 1.6 mm? -99.66 113.22 25.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.931 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.931 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.668 HD13 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HA ' HD21 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.685 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.54 -9.01 59.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -107.1 -19.82 13.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.306 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.37 -32.5 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.849 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 52' ' ' SER . 8.0 pt-20 -89.77 -170.13 2.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -72.65 122.75 88.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 4.8 Cg_exo -78.65 -158.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.592 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.46 153.49 38.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.839 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 23.0 mp0 -61.45 120.92 59.94 Favored Pre-proline 0 C--N 1.33 -0.258 0 O-C-N 123.658 0.599 . . . . 0.0 110.998 -175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 6.2 Cg_exo -74.11 82.16 1.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.806 2.337 . . . . 0.0 111.142 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 m -141.84 -156.63 0.7 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.846 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.83 7.08 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.581 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -84.67 78.41 9.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -145.17 174.55 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -106.95 107.54 18.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.29 -168.57 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.958 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -74.1 115.91 14.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.855 0.359 . . . . 0.0 110.532 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -76.01 98.28 4.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.864 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.809 179.412 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 70.82 -93.52 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.388 0.43 . . . . 0.0 110.898 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 46.3 47.06 13.7 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 111.696 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -98.15 28.72 3.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.348 . . . . 0.0 111.002 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.34 -58.87 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.477 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 19' ' ' GLU . 87.8 mt 57.73 42.45 23.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.396 0.617 . . . . 0.0 110.747 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -76.58 -20.07 57.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.805 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.5 pt -84.96 -4.18 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt -119.55 115.17 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 6' ' ' LEU . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.432 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt -110.83 -10.25 14.44 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.55 -28.55 51.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.804 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -11.71 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.45 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 6.2 tt0 -89.29 -160.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 56' ' ' GLU . . . 70.85 163.76 0.14 Allowed Pre-proline 0 N--CA 1.465 0.294 0 C-N-CA 123.385 0.674 . . . . 0.0 110.449 -173.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.41 95.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.188 1.925 . . . . 0.0 112.751 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.0 151.29 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 27.3 mm-40 -88.19 112.26 48.4 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 4.7 Cg_exo -80.09 128.46 7.36 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.865 2.377 . . . . 0.0 112.039 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -60.87 125.49 23.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.297 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.88 93.34 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.4 165.08 16.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -72.2 84.89 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -130.02 173.33 10.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.62 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' HD2' ' O ' ' A' ' 69' ' ' HIS . 3.3 t60 -77.65 126.84 31.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.551 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.54 -24.2 64.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -173.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 20.3 p80 -134.9 -179.69 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.882 178.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.5 0.19 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.7 105.48 15.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -73.57 157.18 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.129 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.831 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -110.67 15.79 21.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.648 175.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 tp -119.87 -56.84 2.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.676 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.22 14.28 6.56 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.12 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.92 -3.24 57.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.797 0.808 . . . . 0.0 109.886 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 pt -87.87 14.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.651 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 27' ' ' LEU . 97.6 mt -74.05 97.02 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 1.01 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' HA ' HD22 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.16 -4.59 16.43 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.19 -2.26 3.57 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.122 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.31 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.15 164.53 23.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.0 156.21 0.16 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.838 0.711 . . . . 0.0 111.127 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.37 99.69 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.172 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.78 137.15 33.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.72 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -122.01 162.21 38.42 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.881 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.98 144.43 68.25 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.141 1.894 . . . . 0.0 110.531 170.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.99 88.23 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.146 0.498 . . . . 0.0 111.832 -172.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -82.69 108.19 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.97 148.19 49.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.328 0.585 . . . . 0.0 111.719 -172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -88.92 98.03 11.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -54.44 134.02 45.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.394 0.616 . . . . 0.0 111.701 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.87 139.42 30.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.239 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -82.88 161.41 21.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -62.2 108.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 110.673 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.323 -177.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.503 ' SD ' ' HG2' ' A' ' 2' ' ' GLU . 12.5 tmm? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 10.8 mm-40 63.67 94.16 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.819 0.699 . . . . 0.0 110.773 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -67.19 95.08 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 2' ' ' GLU . 93.8 mtt-85 -88.04 126.45 35.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.372 -173.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp 59.83 83.0 0.14 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.745 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -146.36 102.3 3.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 64.81 -72.15 0.07 Allowed 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.923 0.764 . . . . 0.0 111.715 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt 67.5 97.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.256 0.551 . . . . 0.0 111.205 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 18' ' ' LEU . 75.2 mt -126.46 148.65 49.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.074 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HG ' ' CG ' ' A' ' 32' ' ' ASP . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.05 -18.38 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.85 3.53 53.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.373 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.47 5.4 23.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.317 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.14 124.87 28.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.685 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.7 124.6 86.47 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.938 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.36 152.23 79.35 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.559 2.172 . . . . 0.0 111.858 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.44 101.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.582 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.29 133.76 56.44 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.74 141.51 92.06 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.488 2.125 . . . . 0.0 111.601 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -94.23 147.66 22.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.64 -163.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.079 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 62.89 31.16 16.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.673 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -61.06 140.18 57.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.907 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -97.08 152.86 18.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -109.5 113.97 27.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -90.1 12.13 18.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.455 -169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -138.2 149.54 45.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.884 179.083 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.519 0.199 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.19 -71.65 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.633 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -84.75 102.67 13.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -84.52 106.05 15.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.487 0.66 . . . . 0.0 110.862 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.04 -31.5 64.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.089 -177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' HB3' HD21 ' A' ' 9' ' ' LEU . 96.5 mt -88.86 106.0 18.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.381 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -103.63 -56.72 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.582 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 62.2 mt -76.01 -63.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 -174.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 6' ' ' LEU . 95.4 mt 73.36 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.0 0.812 . . . . 0.0 111.543 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.465 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.473 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HD22 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.19 0.41 37.51 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.81 -28.47 16.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.231 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.94 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.513 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.62 142.7 57.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.52 143.12 96.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.186 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 Cg_exo -71.14 93.61 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.864 2.376 . . . . 0.0 111.915 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.37 100.67 10.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.842 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 75.3 mt-30 -68.46 134.84 90.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.002 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 32.7 Cg_exo -61.42 109.68 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.351 2.034 . . . . 0.0 111.712 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -84.09 117.35 23.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.48 168.71 15.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 72.25 125.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.856 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -69.86 -22.98 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.593 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.54 106.57 0.79 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.024 174.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -135.38 143.06 45.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.595 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -145.57 145.44 31.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -69.24 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 p80 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.009 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.17 79.26 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.444 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -87.62 -3.35 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.344 0.592 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -126.17 111.28 14.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.51 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.801 HD21 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -86.75 92.93 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.446 0.641 . . . . 0.0 111.432 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.2 105.2 17.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.635 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.7 -41.62 78.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 pt -131.28 118.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.157 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 tt -89.02 128.69 35.72 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 5.6 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.527 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.784 ' HB2' ' HG3' ' A' ' 56' ' ' GLU . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt -87.16 -12.12 47.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -105.78 -32.32 8.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.715 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.14 1.22 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.148 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 51' ' ' ARG . 49.2 mm-40 -132.29 167.11 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.51 145.33 34.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.574 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.26 128.07 27.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.687 2.258 . . . . 0.0 111.427 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.56 157.58 19.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -86.77 138.05 33.44 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.781 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.43 151.29 59.34 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.512 2.142 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -75.47 124.05 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.2 110.18 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.583 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.92 141.23 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.72 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -119.58 108.64 14.73 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.093 0.473 . . . . 0.0 109.789 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -100.81 134.56 43.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -71.64 -38.68 70.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -76.02 138.84 41.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.75 128.41 37.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.765 0.317 . . . . 0.0 111.761 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.083 177.292 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 1' ' ' MET . 39.4 tt0 -102.34 91.52 4.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -160.4 119.46 2.69 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 -174.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' HG3' ' CB ' ' A' ' 7' ' ' ASP . 17.6 ttt180 -131.71 92.8 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.06 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.75 109.7 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.8 36.67 24.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.476 0.655 . . . . 0.0 110.068 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.507 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 16.3 t70 -75.25 -9.66 58.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.267 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pp -115.84 25.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.01 129.64 40.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' HG13 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.59 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HB2' HG22 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.36 -16.94 57.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.07 -13.71 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.018 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.19 -21.86 53.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.318 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.61 94.55 4.83 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.762 0.792 . . . . 0.0 109.976 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -159.64 135.92 6.37 Favored Pre-proline 0 C--N 1.307 -1.259 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.48 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 24.3 Cg_exo -62.88 104.44 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.2 164.07 11.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.25 95.0 31.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.387 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -179.17 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.193 2.596 . . . . 0.0 111.048 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -86.5 108.36 18.5 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.87 89.95 5.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.99 106.77 16.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.449 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -122.68 139.9 53.45 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 167.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -103.67 113.13 26.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.533 0.682 . . . . 0.0 110.808 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.11 106.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.987 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -118.72 116.71 27.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.223 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.23 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 p80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 175.456 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.752 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -76.78 79.73 3.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.552 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -99.76 94.15 6.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.6 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.03 100.49 10.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 1.7 pt? -147.72 111.83 5.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.636 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.7 mt -114.04 61.57 0.66 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.504 0.669 . . . . 0.0 110.079 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -91.56 2.55 56.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.854 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -79.67 69.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 0.0 111.525 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -117.96 130.62 56.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.248 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -108.29 -5.08 16.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -94.49 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.247 0.546 . . . . 0.0 110.689 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.46 15.51 5.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.676 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -98.77 134.7 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -75.18 120.39 81.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.027 -174.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 Cg_exo -81.45 133.56 8.49 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.399 2.732 . . . . 0.0 112.145 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.12 -47.43 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 pm0 -96.56 142.16 24.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.65 155.66 27.64 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.571 2.181 . . . . 0.0 112.027 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -120.69 150.32 41.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.93 97.95 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.446 . . . . 0.0 111.288 -176.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 166.28 10.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.304 173.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -64.49 112.2 3.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.967 0.413 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -72.72 80.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -144.89 -26.83 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.895 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 27.4 t-80 -75.77 67.72 2.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.532 0.682 . . . . 0.0 110.135 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 43.2 t-80 169.83 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.492 -1.669 . . . . 0.0 106.492 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 35.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.908 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.92 79.84 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -86.04 -25.71 25.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -161.08 135.34 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt 70.3 106.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.996 0.81 . . . . 0.0 110.079 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.1 tp -79.57 140.19 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.328 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.59 -59.97 2.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.714 -174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.3 mt -94.68 127.41 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 0.0 111.713 -173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.79 139.04 52.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.947 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.498 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt -72.96 -22.79 60.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -106.6 -10.36 16.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.345 0.593 . . . . 0.0 110.666 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -105.85 21.4 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.396 -176.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.7 mt-10 -89.55 -177.15 5.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.271 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.16 148.38 0.12 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.926 0.766 . . . . 0.0 111.08 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.42 96.83 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.673 2.249 . . . . 0.0 112.726 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.11 -37.43 75.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.882 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' OE1' ' HD2' ' A' ' 61' ' ' PRO . 4.1 tp-100 -74.5 127.21 87.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.454 ' HD2' ' OE1' ' A' ' 60' ' ' GLN . 9.9 Cg_endo -52.64 112.54 0.92 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.033 2.488 . . . . 0.0 112.476 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -102.69 118.58 37.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -74.72 125.46 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -74.48 136.71 42.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.474 0.654 . . . . 0.0 112.226 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -147.5 34.81 0.87 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.012 172.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -60.51 140.08 57.47 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.763 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -95.69 117.21 30.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -95.73 110.82 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -104.5 75.96 1.27 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 0.0 111.591 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.152 175.293 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.52 ' HA ' HD11 ' A' ' 5' ' ' LEU . 5.9 mp0 -74.26 -164.89 0.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.622 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m 70.46 -43.65 0.55 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.619 0.768 . . . . 0.0 111.542 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -111.75 92.81 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 2' ' ' GLU . 6.6 mp -122.59 -96.02 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -134.78 118.66 17.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -168.23 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.2 mt 66.78 89.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.85 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.63 114.6 28.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.4 174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -112.82 0.32 15.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -117.65 -35.07 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.248 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.86 23.41 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.322 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 8.2 tt0 -144.14 -156.73 0.72 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . . . 68.4 163.41 0.13 Allowed Pre-proline 0 C--O 1.235 0.332 0 O-C-N 123.71 0.631 . . . . 0.0 110.653 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 57' ' ' ALA . 10.3 Cg_endo -53.99 146.81 45.71 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.442 2.094 . . . . 0.0 112.349 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 114.22 0.96 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.513 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 64.06 93.07 0.06 OUTLIER Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.118 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 131.09 42.3 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.83 2.353 . . . . 0.0 111.549 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -77.22 45.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.568 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt 60.26 88.87 0.07 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.079 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.66 154.81 27.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.366 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -72.94 87.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.124 0.487 . . . . 0.0 109.936 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -98.57 90.77 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -83.49 55.25 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 110.542 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -139.97 91.33 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.27 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -129.34 116.98 19.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.52 175.34 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 109.9 22.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.34 -1.83 35.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -83.74 -47.22 11.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.959 -0.463 . . . . 0.0 110.273 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tt 71.51 -67.25 0.26 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.96 0.788 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.9 mt -146.27 131.61 18.56 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.91 -49.03 69.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.244 0.545 . . . . 0.0 109.657 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.24 132.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.39 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.12 130.92 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.724 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 60' ' ' GLN . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.433 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.08 5.92 10.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.19 -24.21 18.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.265 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.62 21.08 3.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.734 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG3' ' H ' ' A' ' 57' ' ' ALA . 5.2 tp10 62.16 -146.68 0.39 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' H ' ' HG3' ' A' ' 56' ' ' GLU . . . 62.34 94.12 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 112.186 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.98 79.86 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.562 2.175 . . . . 0.0 111.454 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.76 39.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.249 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.503 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 48.1 tt0 -123.09 82.03 51.23 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.68 90.14 1.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.291 2.66 . . . . 0.0 112.597 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 t -122.73 117.76 26.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.914 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -102.05 7.13 41.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.423 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -70.46 154.05 42.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.453 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -45.06 114.26 0.7 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.751 0.657 . . . . 0.0 112.075 -174.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -95.79 -178.92 4.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.037 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -168.59 174.15 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.49 -65.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.896 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t60 69.68 120.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.794 0.684 . . . . 0.0 111.377 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.943 178.321 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.506 0.193 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.06 50.23 6.78 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.872 0.733 . . . . 0.0 112.435 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -73.71 -38.72 64.74 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 54.16 79.84 0.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.565 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.69 171.12 9.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.03 100.07 10.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -82.88 66.83 8.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.196 0.522 . . . . 0.0 110.69 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.9 pt -96.94 -1.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.958 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt 68.9 111.38 0.05 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.555 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' HD22 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.534 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB3' HD13 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.605 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt -110.29 7.31 23.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.45 -44.62 3.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.591 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.1 -10.96 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.443 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.78 146.11 39.39 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.11 114.41 11.49 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -91.35 98.37 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 123.283 2.655 . . . . 0.0 112.876 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' C ' ' HD3' ' A' ' 61' ' ' PRO . . . -85.02 93.83 8.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -124.57 67.29 48.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 59' ' ' ALA . 96.1 Cg_endo -100.28 171.15 0.4 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.009 2.473 . . . . 0.0 112.029 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.4 m 63.76 81.63 0.2 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.074 0.464 . . . . 0.0 111.553 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.7 mt -104.45 104.85 14.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.239 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' OE2' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -100.64 162.9 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -177.052 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -107.72 20.07 19.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.412 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 67.11 -54.27 0.46 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.29 0.636 . . . . 0.0 110.621 -169.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -80.47 73.16 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 167.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -111.6 10.99 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.776 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -155.46 -43.17 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.557 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -83.24 101.48 11.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -165.41 90.97 0.5 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.439 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 3.7 mmp_? -116.79 -154.69 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' ' 6' ' ' LEU . 2.5 tt -75.46 68.29 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.296 0.569 . . . . 0.0 110.496 -177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD21 ' C ' ' A' ' 5' ' ' LEU . 3.2 mm? -130.64 -54.69 1.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.327 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -117.22 35.46 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.577 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.6 pt -84.34 0.14 5.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.819 0.342 . . . . 0.0 111.243 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.87 95.2 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HG ' ' CG ' ' A' ' 32' ' ' ASP . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.507 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.5 ' CG ' ' HG ' ' A' ' 11' ' ' CYS . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.51 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt -80.89 -16.96 52.2 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.46 -20.7 59.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.747 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.37 17.04 14.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.267 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 52' ' ' SER . 4.4 mm-40 -87.81 125.53 34.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.004 0.431 . . . . 0.0 110.83 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.79 151.46 91.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.312 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.67 175.46 7.12 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.338 2.025 . . . . 0.0 112.14 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.08 1.61 52.63 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.579 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -84.39 154.77 62.99 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.4 166.59 28.86 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.859 2.373 . . . . 0.0 111.495 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 p -79.16 137.41 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -25.24 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.396 0.617 . . . . 0.0 110.388 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -99.0 93.7 6.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.432 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -90.97 77.76 6.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.74 0.781 . . . . 0.0 109.851 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -79.79 82.4 5.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.678 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -62.91 111.24 2.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.25 -174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -79.66 95.44 5.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.033 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -167.97 105.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.557 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.614 177.784 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.677 0.275 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -165.05 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.328 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -71.99 103.54 3.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -83.11 65.82 8.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.0 112.224 -170.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 61.44 18.89 9.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.568 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.81 -5.7 52.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.78 87.35 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.592 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 pt -79.8 -40.13 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -174.59 122.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.19 -7.13 58.26 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.02 10.7 37.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.575 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.67 43.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.786 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -85.17 151.52 24.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.373 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.64 43.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.03 147.41 82.78 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.259 . . . . 0.0 111.999 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.94 -57.47 2.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 111.697 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -99.87 114.79 65.83 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -89.72 -160.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.226 2.617 . . . . 0.0 112.001 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -81.39 128.9 34.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.99 80.66 8.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.01 -44.83 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.654 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -85.99 63.07 7.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.274 0.559 . . . . 0.0 109.811 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -85.26 105.68 16.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.43 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.3 82.13 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.975 -1.012 . . . . 0.0 112.937 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -161.78 93.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 t60 66.72 103.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 124.019 0.824 . . . . 0.0 110.192 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.581 -177.725 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -88.42 90.07 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.224 0.535 . . . . 0.0 111.544 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -141.32 92.44 2.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -87.05 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.204 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.723 HD21 ' H ' ' A' ' 5' ' ' LEU . 2.4 pt? -93.52 18.57 9.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 0.0 110.827 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.72 86.07 2.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.627 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.26 97.13 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.2 pt -103.04 138.46 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.513 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -138.14 135.14 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.061 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt -90.14 -25.61 20.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.17 -17.83 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.315 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.57 55.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.234 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -96.4 14.73 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 110.043 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.14 140.55 21.26 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.585 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.09 127.28 22.68 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.627 2.218 . . . . 0.0 111.567 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 115.05 22.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.326 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -78.74 140.48 58.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.4 103.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.265 2.643 . . . . 0.0 112.973 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 m -130.46 86.1 2.35 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 63' ' ' LEU . 5.5 mp -101.2 136.5 40.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -171.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -175.91 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 169.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -65.3 -51.35 61.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -173.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.41 -58.05 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.981 0.512 . . . . 0.0 111.824 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.01 142.58 38.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -140.32 119.41 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.353 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 70.19 152.44 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.684 0.615 . . . . 0.0 111.393 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.542 175.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HD12 ' A' ' 18' ' ' LEU . 3.7 tt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 53' ' ' LEU . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 28' ' ' VAL . 86.0 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 90.2 mt . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.666 0.269 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' HA ' HD23 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 18' ' ' LEU . 1.6 mm? . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.948 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' ALA . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 28' ' ' VAL . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.588 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.548 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.593 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 27' ' ' LEU . 97.6 mt . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.019 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 1.019 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' HD23 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 18' ' ' LEU . 75.2 mt . . . . . 0 C--O 1.236 0.363 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 22' ' ' ARG . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 10.6 t30 -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.244 0.545 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' VAL . 3.6 tt . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 9' ' ' LEU . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.535 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 42.3 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 39' ' ' ARG . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.541 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 52' ' ' SER . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.608 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 51' ' ' ARG . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB2' HD23 ' A' ' 34' ' ' LEU . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 47' ' ' GLU . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' HE1' ' A' ' 36' ' ' PHE . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 11' ' ' CYS . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' H ' ' A' ' 34' ' ' LEU . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' H ' ' HB2' ' A' ' 29' ' ' CYS . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.735 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD3' HG23 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 25' ' ' ALA . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.449 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.4 0.619 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HA ' HD23 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG22 ' HB2' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 13' ' ' VAL . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.67 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.67 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' HD23 ' A' ' 34' ' ' LEU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 96.5 mt . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -106.92 127.1 53.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.945 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -99.97 140.97 33.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.208 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LEU . 85.6 mtt180 -109.28 -91.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' H ' ' HB2' ' A' ' 4' ' ' ARG . 10.4 mp 65.89 147.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 171.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.44 19.46 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.189 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -96.5 96.04 8.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.424 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.76 -44.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.471 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 1.9 mm? -125.37 117.95 24.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.98 -7.56 36.12 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.38 -30.97 10.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.162 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 52' ' ' SER . . . -127.99 104.63 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.27 -177.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -81.8 170.83 15.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.409 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.19 111.23 59.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.79 115.43 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.817 2.345 . . . . 0.0 111.602 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.13 101.94 5.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 0.0 110.933 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -133.59 99.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.58 101.31 0.64 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.21 2.607 . . . . 0.0 113.361 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 m 35.02 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.822 1.249 . . . . 0.0 114.133 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.28 90.84 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -155.04 146.27 22.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.545 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -86.17 83.5 7.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -93.81 134.63 35.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.778 -172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -68.14 131.76 45.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.443 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -133.77 -168.0 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.8 t60 74.33 -50.5 0.68 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.694 0.798 . . . . 0.0 111.28 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.408 177.226 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 121.585 0.707 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.27 174.52 7.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.032 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m 66.72 9.1 6.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.134 0.492 . . . . 0.0 111.079 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.898 HH12 ' HA ' ' A' ' 7' ' ' ASP . 3.9 tpm_? -81.17 -1.89 46.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.16 -7.73 44.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -103.18 84.06 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.898 ' HA ' HH12 ' A' ' 4' ' ' ARG . 22.7 m-20 -80.83 85.43 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.605 0.717 . . . . 0.0 111.3 -175.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.69 21.96 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.888 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HD12 ' A' ' 18' ' ' LEU . 3.7 tt -62.58 130.9 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.444 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 53' ' ' LEU . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 28' ' ' VAL . 86.0 mt -115.29 -4.1 12.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.27 -32.08 15.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.756 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.62 91.37 3.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.197 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.34 -174.92 3.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.726 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -95.77 137.21 21.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 52.0 Cg_exo -54.88 127.8 27.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.868 2.379 . . . . 0.0 112.405 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.31 171.81 14.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -85.96 138.13 35.18 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.979 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -51.06 -53.98 6.23 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.341 2.694 . . . . 0.0 112.627 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 p -92.51 100.94 13.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.659 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.12 157.82 15.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.339 . . . . 0.0 111.31 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.26 94.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.807 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 t60 53.64 35.14 20.34 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.81 0.694 . . . . 0.0 111.026 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -106.47 130.97 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.8 t60 67.48 29.46 7.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.888 0.742 . . . . 0.0 110.571 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' HIS . 85.2 t60 -73.91 99.86 3.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.173 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 73.19 -32.68 0.25 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.544 0.737 . . . . 0.0 111.98 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 68' ' ' HIS . 4.9 p80 . . . . . 0 C--O 1.246 0.897 0 C-N-CA 124.778 1.231 . . . . 0.0 110.95 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.636 0.255 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -125.92 97.13 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.593 0.235 . . . . 0.0 110.81 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -172.64 -68.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.316 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 60.66 87.44 0.09 Allowed 'General case' 0 C--O 1.233 0.219 0 O-C-N 124.017 0.823 . . . . 0.0 110.681 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 6' ' ' LEU . 6.5 tt -153.74 117.88 4.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.225 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER 64.2 48.47 2.9 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.386 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.06 -63.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 9' ' ' LEU . 24.1 mm -83.0 -91.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.258 -174.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 90.2 mt -147.17 134.01 20.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.467 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.78 -11.83 24.46 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.03 -37.56 8.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.536 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -96.58 27.11 4.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.76 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.33 22.03 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.988 0.899 . . . . 0.0 109.841 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.8 106.4 54.84 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.37 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.13 138.07 46.16 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 111.986 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.15 -3.64 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.029 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.41 142.69 37.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.842 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.99 -169.59 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.216 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.1 m -79.77 176.07 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.0 mp 66.99 17.96 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.447 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.22 135.03 55.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -82.32 24.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -93.44 85.1 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.452 0.644 . . . . 0.0 110.901 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -103.26 132.55 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.49 132.37 49.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 111.159 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -90.74 2.37 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.663 0.744 . . . . 0.0 109.436 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.515 178.709 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.51 86.26 2.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.192 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -150.62 124.25 9.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.799 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -100.27 90.07 4.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.4 63.05 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.188 0.518 . . . . 0.0 111.165 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.72 -178.86 3.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.638 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 63.54 23.17 13.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.6 pt -97.26 -17.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.663 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt -96.14 105.33 17.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' HA ' HD23 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.4 -2.37 58.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.51 -49.51 16.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.173 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.96 79.65 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.936 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.02 143.66 33.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.775 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 119.95 51.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.879 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.0 144.26 46.36 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.812 2.341 . . . . 0.0 112.488 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.92 136.53 33.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.56 159.42 74.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.053 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 97.46 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.892 2.395 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -124.83 18.38 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.62 110.19 21.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.81 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -87.81 -171.81 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.023 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.4 85.0 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.442 0.639 . . . . 0.0 110.027 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -86.24 116.57 24.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.897 -171.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -114.85 -27.47 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 51.21 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.084 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.34 131.27 5.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.678 177.68 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.668 0.271 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -123.55 109.87 14.33 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.425 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -69.26 -74.05 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -149.13 146.89 27.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.49 114.21 23.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.131 0.491 . . . . 0.0 110.861 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -109.3 142.95 39.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.614 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -92.23 -72.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 pp -149.14 164.29 4.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.999 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt -142.19 152.16 42.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.54 -10.73 39.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -87.67 -31.9 19.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.586 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.51 -3.46 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.878 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.17 161.81 13.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.923 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -77.0 115.25 46.95 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.553 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 16.6 Cg_exo -67.04 134.53 34.52 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.861 2.374 . . . . 0.0 112.048 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 136.83 56.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.459 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -67.33 148.86 98.66 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.227 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.91 126.48 15.02 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.242 2.628 . . . . 0.0 112.55 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -56.08 136.28 52.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.34 125.2 23.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.599 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 65.66 94.43 0.06 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.89 0.744 . . . . 0.0 110.691 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -80.55 74.6 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.875 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.34 113.13 16.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -83.57 142.41 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.114 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -88.32 106.73 18.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.774 0.321 . . . . 0.0 110.297 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -147.94 143.53 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.89 176.242 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.158 0.504 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.81 99.03 11.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 64.71 -170.61 0.19 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.952 0.782 . . . . 0.0 109.677 -170.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -78.95 -70.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.95 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.37 115.06 9.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.869 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.57 22.72 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.362 0.601 . . . . 0.0 110.993 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -157.14 102.2 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 9' ' ' LEU . 19.9 pt -113.22 -54.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 18' ' ' LEU . 1.6 mm? -99.66 113.22 25.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.948 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' ALA . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 28' ' ' VAL . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.588 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.548 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.54 -9.01 59.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -107.1 -19.82 13.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.306 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.37 -32.5 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.849 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 52' ' ' SER . 8.0 pt-20 -89.77 -170.13 2.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -72.65 122.75 88.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 4.8 Cg_exo -78.65 -158.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.592 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.46 153.49 38.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.839 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 23.0 mp0 -61.45 120.92 59.94 Favored Pre-proline 0 C--N 1.33 -0.258 0 O-C-N 123.658 0.599 . . . . 0.0 110.998 -175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 6.2 Cg_exo -74.11 82.16 1.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.806 2.337 . . . . 0.0 111.142 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 m -141.84 -156.63 0.7 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.846 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.83 7.08 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.581 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -84.67 78.41 9.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -145.17 174.55 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -106.95 107.54 18.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.29 -168.57 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.958 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -74.1 115.91 14.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.855 0.359 . . . . 0.0 110.532 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -76.01 98.28 4.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.864 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.809 179.412 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 70.82 -93.52 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.388 0.43 . . . . 0.0 110.898 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 46.3 47.06 13.7 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 111.696 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -98.15 28.72 3.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.348 . . . . 0.0 111.002 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.34 -58.87 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.477 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 19' ' ' GLU . 87.8 mt 57.73 42.45 23.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.396 0.617 . . . . 0.0 110.747 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -76.58 -20.07 57.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.805 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.5 pt -84.96 -4.18 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt -119.55 115.17 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 6' ' ' LEU . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.593 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt -110.83 -10.25 14.44 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.55 -28.55 51.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.804 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -11.71 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.45 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 6.2 tt0 -89.29 -160.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' H ' ' HG2' ' A' ' 56' ' ' GLU . . . 70.85 163.76 0.14 Allowed Pre-proline 0 N--CA 1.465 0.294 0 C-N-CA 123.385 0.674 . . . . 0.0 110.449 -173.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.41 95.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.188 1.925 . . . . 0.0 112.751 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.0 151.29 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 27.3 mm-40 -88.19 112.26 48.4 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 4.7 Cg_exo -80.09 128.46 7.36 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.865 2.377 . . . . 0.0 112.039 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -60.87 125.49 23.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.297 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.88 93.34 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.4 165.08 16.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -72.2 84.89 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -130.02 173.33 10.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.62 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -77.65 126.84 31.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.551 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.54 -24.2 64.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -173.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -134.9 -179.69 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.882 178.424 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.5 0.19 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.7 105.48 15.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -73.57 157.18 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.129 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.87 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -110.67 15.79 21.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.648 175.548 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 tp -119.87 -56.84 2.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.676 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.22 14.28 6.56 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.12 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.92 -3.24 57.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.797 0.808 . . . . 0.0 109.886 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 pt -87.87 14.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.651 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 27' ' ' LEU . 97.6 mt -74.05 97.02 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.019 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 1.019 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' HD23 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.16 -4.59 16.43 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.19 -2.26 3.57 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.122 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.31 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.15 164.53 23.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.0 156.21 0.16 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.838 0.711 . . . . 0.0 111.127 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.37 99.69 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.172 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.78 137.15 33.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.72 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -122.01 162.21 38.42 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.881 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.98 144.43 68.25 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.141 1.894 . . . . 0.0 110.531 170.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.99 88.23 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.146 0.498 . . . . 0.0 111.832 -172.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -82.69 108.19 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.97 148.19 49.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.328 0.585 . . . . 0.0 111.719 -172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -88.92 98.03 11.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -54.44 134.02 45.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.394 0.616 . . . . 0.0 111.701 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.87 139.42 30.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.239 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -82.88 161.41 21.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -62.2 108.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 110.673 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.323 -177.813 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' HG2' ' A' ' 2' ' ' GLU . 12.5 tmm? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 10.8 mm-40 63.67 94.16 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.819 0.699 . . . . 0.0 110.773 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -67.19 95.08 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 2' ' ' GLU . 93.8 mtt-85 -88.04 126.45 35.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.372 -173.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp 59.83 83.0 0.14 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.745 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -146.36 102.3 3.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 64.81 -72.15 0.07 Allowed 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.923 0.764 . . . . 0.0 111.715 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt 67.5 97.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.256 0.551 . . . . 0.0 111.205 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 18' ' ' LEU . 75.2 mt -126.46 148.65 49.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.074 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 22' ' ' ARG . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 10.6 t30 -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.05 -18.38 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.85 3.53 53.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.373 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.47 5.4 23.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.317 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.14 124.87 28.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.685 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.7 124.6 86.47 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.938 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.36 152.23 79.35 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.559 2.172 . . . . 0.0 111.858 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.44 101.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.582 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.29 133.76 56.44 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.74 141.51 92.06 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.488 2.125 . . . . 0.0 111.601 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -94.23 147.66 22.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.64 -163.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.079 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 62.89 31.16 16.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.673 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -61.06 140.18 57.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.907 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -97.08 152.86 18.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -109.5 113.97 27.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -90.1 12.13 18.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.455 -169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -138.2 149.54 45.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.884 179.083 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.519 0.199 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.19 -71.65 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.633 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -84.75 102.67 13.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -84.52 106.05 15.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.487 0.66 . . . . 0.0 110.862 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.04 -31.5 64.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.089 -177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 9' ' ' LEU . 96.5 mt -88.86 106.0 18.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.381 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -103.63 -56.72 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.582 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 62.2 mt -76.01 -63.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 -174.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 6' ' ' LEU . 95.4 mt 73.36 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.0 0.812 . . . . 0.0 111.543 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.19 0.41 37.51 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.81 -28.47 16.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.231 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.94 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.513 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.62 142.7 57.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.52 143.12 96.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.186 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 Cg_exo -71.14 93.61 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.864 2.376 . . . . 0.0 111.915 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.37 100.67 10.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.842 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 75.3 mt-30 -68.46 134.84 90.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.002 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 32.7 Cg_exo -61.42 109.68 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.351 2.034 . . . . 0.0 111.712 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -84.09 117.35 23.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.48 168.71 15.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 72.25 125.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.856 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -69.86 -22.98 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.593 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.54 106.57 0.79 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.024 174.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -135.38 143.06 45.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.595 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -145.57 145.44 31.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -69.24 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 p80 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.009 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.17 79.26 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.444 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -87.62 -3.35 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.344 0.592 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -126.17 111.28 14.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.51 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.855 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -86.75 92.93 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.446 0.641 . . . . 0.0 111.432 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.2 105.2 17.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.635 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.7 -41.62 78.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 pt -131.28 118.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.157 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' VAL . 3.6 tt -89.02 128.69 35.72 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 9' ' ' LEU . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.535 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 42.3 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 39' ' ' ARG . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.541 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.798 ' HB2' ' HG3' ' A' ' 56' ' ' GLU . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt -87.16 -12.12 47.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -105.78 -32.32 8.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.715 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -90.14 1.22 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.148 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.798 ' HG3' ' HB2' ' A' ' 51' ' ' ARG . 49.2 mm-40 -132.29 167.11 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.51 145.33 34.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.574 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.26 128.07 27.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.687 2.258 . . . . 0.0 111.427 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.56 157.58 19.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -86.77 138.05 33.44 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.781 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.43 151.29 59.34 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.512 2.142 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -75.47 124.05 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.2 110.18 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.583 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.92 141.23 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.72 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -119.58 108.64 14.73 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.093 0.473 . . . . 0.0 109.789 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -100.81 134.56 43.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -71.64 -38.68 70.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -76.02 138.84 41.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.75 128.41 37.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.765 0.317 . . . . 0.0 111.761 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.083 177.292 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' H ' ' HG3' ' A' ' 1' ' ' MET . 39.4 tt0 -102.34 91.52 4.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -160.4 119.46 2.69 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 -174.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.523 ' HG3' ' CB ' ' A' ' 7' ' ' ASP . 17.6 ttt180 -131.71 92.8 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.06 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.75 109.7 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.8 36.67 24.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.476 0.655 . . . . 0.0 110.068 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 16.3 t70 -75.25 -9.66 58.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.267 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pp -115.84 25.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.01 129.64 40.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 52' ' ' SER . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.608 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 51' ' ' ARG . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB2' HD23 ' A' ' 34' ' ' LEU . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.36 -16.94 57.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.07 -13.71 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.018 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.19 -21.86 53.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.318 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.61 94.55 4.83 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.762 0.792 . . . . 0.0 109.976 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -159.64 135.92 6.37 Favored Pre-proline 0 C--N 1.307 -1.259 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.48 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 24.3 Cg_exo -62.88 104.44 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.2 164.07 11.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.25 95.0 31.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.387 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -179.17 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.193 2.596 . . . . 0.0 111.048 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -86.5 108.36 18.5 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.87 89.95 5.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.99 106.77 16.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.449 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -122.68 139.9 53.45 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 167.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -103.67 113.13 26.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.533 0.682 . . . . 0.0 110.808 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.11 106.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.987 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -118.72 116.71 27.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.223 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.23 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 p80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 175.456 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -76.78 79.73 3.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.552 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -99.76 94.15 6.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.6 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.03 100.49 10.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 1.7 pt? -147.72 111.83 5.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.636 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.7 mt -114.04 61.57 0.66 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.504 0.669 . . . . 0.0 110.079 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -91.56 2.55 56.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.854 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -79.67 69.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 0.0 111.525 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -117.96 130.62 56.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.248 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 47' ' ' GLU . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' HE1' ' A' ' 36' ' ' PHE . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -108.29 -5.08 16.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -94.49 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.247 0.546 . . . . 0.0 110.689 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.46 15.51 5.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.676 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -98.77 134.7 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -75.18 120.39 81.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.027 -174.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 Cg_exo -81.45 133.56 8.49 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.399 2.732 . . . . 0.0 112.145 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.12 -47.43 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 pm0 -96.56 142.16 24.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.65 155.66 27.64 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.571 2.181 . . . . 0.0 112.027 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -120.69 150.32 41.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.93 97.95 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.446 . . . . 0.0 111.288 -176.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 166.28 10.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.304 173.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -64.49 112.2 3.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.967 0.413 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -72.72 80.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -144.89 -26.83 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.895 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 27.4 t-80 -75.77 67.72 2.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.532 0.682 . . . . 0.0 110.135 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 43.2 t-80 169.83 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.492 -1.669 . . . . 0.0 106.492 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 35.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.908 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.92 79.84 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -86.04 -25.71 25.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -161.08 135.34 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt 70.3 106.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.996 0.81 . . . . 0.0 110.079 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.1 tp -79.57 140.19 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.328 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.59 -59.97 2.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.714 -174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.3 mt -94.68 127.41 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 0.0 111.713 -173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.79 139.04 52.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.947 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 11' ' ' CYS . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt -72.96 -22.79 60.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -106.6 -10.36 16.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.345 0.593 . . . . 0.0 110.666 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -105.85 21.4 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.396 -176.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.7 mt-10 -89.55 -177.15 5.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.271 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . 70.16 148.38 0.12 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.926 0.766 . . . . 0.0 111.08 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 25.0 Cg_exo -63.42 96.83 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.673 2.249 . . . . 0.0 112.726 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.11 -37.43 75.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.882 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' OE1' ' HD2' ' A' ' 61' ' ' PRO . 4.1 tp-100 -74.5 127.21 87.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD2' ' OE1' ' A' ' 60' ' ' GLN . 9.9 Cg_endo -52.64 112.54 0.92 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.033 2.488 . . . . 0.0 112.476 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -102.69 118.58 37.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -74.72 125.46 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -74.48 136.71 42.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.474 0.654 . . . . 0.0 112.226 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -147.5 34.81 0.87 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.012 172.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -60.51 140.08 57.47 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.763 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -95.69 117.21 30.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -95.73 110.82 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -104.5 75.96 1.27 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 0.0 111.591 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.152 175.293 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' HA ' HD11 ' A' ' 5' ' ' LEU . 5.9 mp0 -74.26 -164.89 0.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.622 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m 70.46 -43.65 0.55 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.619 0.768 . . . . 0.0 111.542 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -111.75 92.81 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 2' ' ' GLU . 6.6 mp -122.59 -96.02 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -134.78 118.66 17.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -168.23 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.2 mt 66.78 89.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.85 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.63 114.6 28.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.4 174.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' H ' ' A' ' 34' ' ' LEU . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' H ' ' HB2' ' A' ' 29' ' ' CYS . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HB2' ' OE2' ' A' ' 56' ' ' GLU . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -112.82 0.32 15.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -117.65 -35.07 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.248 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.86 23.41 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.322 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 8.2 tt0 -144.14 -156.73 0.72 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . 68.4 163.41 0.13 Allowed Pre-proline 0 C--O 1.235 0.332 0 O-C-N 123.71 0.631 . . . . 0.0 110.653 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 10.3 Cg_endo -53.99 146.81 45.71 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.442 2.094 . . . . 0.0 112.349 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 114.22 0.96 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.513 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 64.06 93.07 0.06 OUTLIER Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.118 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 131.09 42.3 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.83 2.353 . . . . 0.0 111.549 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -77.22 45.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.568 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt 60.26 88.87 0.07 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.079 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.66 154.81 27.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.366 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -72.94 87.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.124 0.487 . . . . 0.0 109.936 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -98.57 90.77 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -83.49 55.25 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 110.542 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -139.97 91.33 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.27 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -129.34 116.98 19.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.52 175.34 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 109.9 22.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.34 -1.83 35.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -83.74 -47.22 11.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.959 -0.463 . . . . 0.0 110.273 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tt 71.51 -67.25 0.26 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.96 0.788 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.9 mt -146.27 131.61 18.56 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.91 -49.03 69.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.244 0.545 . . . . 0.0 109.657 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.24 132.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.39 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.12 130.92 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.735 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD3' HG23 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 25' ' ' ALA . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 60' ' ' GLN . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.449 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.08 5.92 10.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.19 -24.21 18.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.265 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.62 21.08 3.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.734 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HG3' ' H ' ' A' ' 57' ' ' ALA . 5.2 tp10 62.16 -146.68 0.39 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' H ' ' HG3' ' A' ' 56' ' ' GLU . . . 62.34 94.12 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 112.186 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.98 79.86 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.562 2.175 . . . . 0.0 111.454 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.76 39.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.249 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 48.1 tt0 -123.09 82.03 51.23 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.68 90.14 1.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.291 2.66 . . . . 0.0 112.597 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 t -122.73 117.76 26.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.914 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -102.05 7.13 41.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.423 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -70.46 154.05 42.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.453 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -45.06 114.26 0.7 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.751 0.657 . . . . 0.0 112.075 -174.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -95.79 -178.92 4.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.037 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -168.59 174.15 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.49 -65.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.896 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t60 69.68 120.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.794 0.684 . . . . 0.0 111.377 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.943 178.321 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.506 0.193 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.06 50.23 6.78 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.872 0.733 . . . . 0.0 112.435 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -73.71 -38.72 64.74 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 54.16 79.84 0.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.565 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.69 171.12 9.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.03 100.07 10.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -82.88 66.83 8.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.196 0.522 . . . . 0.0 110.69 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.9 pt -96.94 -1.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.958 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt 68.9 111.38 0.05 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.555 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HA ' HD23 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG22 ' HB2' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt -110.29 7.31 23.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.45 -44.62 3.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.591 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.1 -10.96 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.443 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.78 146.11 39.39 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.11 114.41 11.49 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -91.35 98.37 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 123.283 2.655 . . . . 0.0 112.876 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' C ' ' HD3' ' A' ' 61' ' ' PRO . . . -85.02 93.83 8.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -124.57 67.29 48.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 59' ' ' ALA . 96.1 Cg_endo -100.28 171.15 0.4 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.009 2.473 . . . . 0.0 112.029 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.4 m 63.76 81.63 0.2 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.074 0.464 . . . . 0.0 111.553 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.7 mt -104.45 104.85 14.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.239 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.541 ' OE2' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -100.64 162.9 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -177.052 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -107.72 20.07 19.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.479 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 67.11 -54.27 0.46 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.29 0.636 . . . . 0.0 110.621 -169.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -80.47 73.16 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 167.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -111.6 10.99 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.776 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -155.46 -43.17 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.557 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -83.24 101.48 11.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -165.41 90.97 0.5 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.439 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 3.7 mmp_? -116.79 -154.69 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.5 tt -75.46 68.29 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.296 0.569 . . . . 0.0 110.496 -177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD22 ' C ' ' A' ' 5' ' ' LEU . 3.2 mm? -130.64 -54.69 1.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.327 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -117.22 35.46 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.577 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.6 pt -84.34 0.14 5.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.819 0.342 . . . . 0.0 111.243 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.87 95.2 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 13' ' ' VAL . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.67 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.67 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' HD23 ' A' ' 34' ' ' LEU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt -80.89 -16.96 52.2 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.46 -20.7 59.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.747 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.37 17.04 14.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.267 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 52' ' ' SER . 4.4 mm-40 -87.81 125.53 34.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.004 0.431 . . . . 0.0 110.83 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.79 151.46 91.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.312 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.67 175.46 7.12 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.338 2.025 . . . . 0.0 112.14 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.08 1.61 52.63 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.579 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.0 pt20 -84.39 154.77 62.99 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 13.2 Cg_exo -71.4 166.59 28.86 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.859 2.373 . . . . 0.0 111.495 174.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 p -79.16 137.41 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -25.24 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.396 0.617 . . . . 0.0 110.388 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -99.0 93.7 6.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.432 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -90.97 77.76 6.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.74 0.781 . . . . 0.0 109.851 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -79.79 82.4 5.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.678 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -62.91 111.24 2.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.25 -174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -79.66 95.44 5.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.033 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -167.97 105.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.557 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.614 177.784 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.677 0.275 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -165.05 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.328 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -71.99 103.54 3.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -83.11 65.82 8.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.0 112.224 -170.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 61.44 18.89 9.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.568 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.81 -5.7 52.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.78 87.35 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.592 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 pt -79.8 -40.13 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -174.59 122.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 96.5 mt -87.19 -7.13 58.26 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.02 10.7 37.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.575 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.67 43.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.786 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -85.17 151.52 24.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.373 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.64 43.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.03 147.41 82.78 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.259 . . . . 0.0 111.999 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.94 -57.47 2.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 111.697 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -99.87 114.79 65.83 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -89.72 -160.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.226 2.617 . . . . 0.0 112.001 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -81.39 128.9 34.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.99 80.66 8.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.01 -44.83 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.654 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -85.99 63.07 7.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.274 0.559 . . . . 0.0 109.811 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -85.26 105.68 16.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.43 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.3 82.13 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.975 -1.012 . . . . 0.0 112.937 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -161.78 93.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 t60 66.72 103.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 124.019 0.824 . . . . 0.0 110.192 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.581 -177.725 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -88.42 90.07 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.224 0.535 . . . . 0.0 111.544 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -141.32 92.44 2.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -87.05 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.204 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.4 pt? -93.52 18.57 9.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 0.0 110.827 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.72 86.07 2.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.627 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.26 97.13 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.2 pt -103.04 138.46 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.513 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -138.14 135.14 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.061 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt -90.14 -25.61 20.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.17 -17.83 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.315 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.57 55.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.234 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -96.4 14.73 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 110.043 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.14 140.55 21.26 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.585 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.09 127.28 22.68 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.627 2.218 . . . . 0.0 111.567 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 115.05 22.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.326 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -78.74 140.48 58.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.4 103.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.265 2.643 . . . . 0.0 112.973 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 m -130.46 86.1 2.35 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.5 mp -101.2 136.5 40.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -171.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -175.91 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 169.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -65.3 -51.35 61.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -173.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.41 -58.05 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.981 0.512 . . . . 0.0 111.824 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.01 142.58 38.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -140.32 119.41 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.353 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 70.19 152.44 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.684 0.615 . . . . 0.0 111.393 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.542 175.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 1.9 mm? . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HD12 ' A' ' 18' ' ' LEU . 3.7 tt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 53' ' ' LEU . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 28' ' ' VAL . 86.0 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 90.2 mt . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.666 0.269 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' HA ' HD23 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 18' ' ' LEU . 1.6 mm? . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.948 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' ALA . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 28' ' ' VAL . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.588 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.548 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.593 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 27' ' ' LEU . 97.6 mt . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.019 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 1.019 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' HD23 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 18' ' ' LEU . 75.2 mt . . . . . 0 C--O 1.236 0.363 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 22' ' ' ARG . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.244 0.545 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' VAL . 3.6 tt . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 9' ' ' LEU . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.535 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 5.6 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 39' ' ' ARG . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.541 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 52' ' ' SER . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.608 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 51' ' ' ARG . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB2' HD23 ' A' ' 34' ' ' LEU . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 47' ' ' GLU . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' HE1' ' A' ' 36' ' ' PHE . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 11' ' ' CYS . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' H ' ' A' ' 34' ' ' LEU . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' H ' ' HB2' ' A' ' 29' ' ' CYS . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.735 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD3' HG23 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 25' ' ' ALA . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.449 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.4 0.619 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HA ' HD23 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG22 ' HB2' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 13' ' ' VAL . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.67 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.67 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' HD23 ' A' ' 34' ' ' LEU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 96.5 mt . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -106.92 127.1 53.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.945 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -99.97 140.97 33.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.208 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LEU . 85.6 mtt180 -109.28 -91.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' H ' ' HB2' ' A' ' 4' ' ' ARG . 10.4 mp 65.89 147.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 171.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.44 19.46 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.189 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -96.5 96.04 8.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.424 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.76 -44.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.471 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 1.9 mm? -125.37 117.95 24.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 112.057 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 m -112.54 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.745 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.58 127.61 73.21 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.506 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.21 -11.64 32.63 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.667 2.245 . . . . 0.0 112.689 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.61 -53.92 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.6 t -93.54 -11.84 30.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.42 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 59.88 18.86 7.82 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.001 0.52 . . . . 0.0 112.198 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.36 145.37 21.2 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.828 0.347 . . . . 0.0 110.643 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 9' ' ' LEU . 93.1 mt -76.36 148.89 37.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 1.7 tm-20 -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -82.03 108.28 15.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.73 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -106.11 165.53 11.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.17 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -121.52 25.84 9.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.633 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.61 -66.64 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.1 15.14 21.77 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.34 73.23 0.47 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.984 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -130.84 144.47 51.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.381 -172.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mt -97.11 97.9 9.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.098 172.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 57.8 t -74.35 123.49 29.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 0.0 111.297 -175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.63 98.1 5.32 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -77.23 53.27 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.492 0.663 . . . . 0.0 111.522 -169.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.77 -39.07 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.551 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -93.81 -8.87 39.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.843 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 62.7 34.67 14.61 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.337 0.589 . . . . 0.0 110.704 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -106.11 171.0 7.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.575 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.57 112.2 3.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.851 0.358 . . . . 0.0 111.06 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.38 120.54 79.71 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.969 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 132.79 9.78 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.313 2.009 . . . . 0.0 113.132 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.4 t -93.31 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -84.44 73.97 10.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 48.99 77.47 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.303 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.48 -43.53 2.2 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.829 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -97.93 108.96 49.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 111.125 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -83.28 127.37 4.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.214 2.61 . . . . 0.0 111.941 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -88.35 99.01 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.013 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 92.7 mmm -87.03 22.5 2.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.158 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.5 mt -101.71 116.74 33.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -40.31 93.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.49 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.883 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -106.83 9.32 30.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.146 0.498 . . . . 0.0 110.77 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 -169.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.03 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 35' ' ' ALA . 7.6 ptm180 -117.19 154.5 31.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 45.8 t -115.35 173.85 6.3 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.98 -7.56 36.12 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.38 -30.97 10.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.162 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 52' ' ' SER . . . -127.99 104.63 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.27 -177.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -81.8 170.83 15.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.409 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.19 111.23 59.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.79 115.43 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.817 2.345 . . . . 0.0 111.602 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.13 101.94 5.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.92 0.391 . . . . 0.0 110.933 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -133.59 99.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.58 101.31 0.64 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.21 2.607 . . . . 0.0 113.361 -173.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 m 35.02 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.822 1.249 . . . . 0.0 114.133 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.1 mp -83.28 90.84 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -155.04 146.27 22.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.545 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -86.17 83.5 7.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -93.81 134.63 35.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.778 -172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -68.14 131.76 45.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.443 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -133.77 -168.0 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.8 t60 74.33 -50.5 0.68 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.694 0.798 . . . . 0.0 111.28 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.408 177.226 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 121.585 0.707 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.27 174.52 7.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.032 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m 66.72 9.1 6.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.134 0.492 . . . . 0.0 111.079 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.898 HH12 ' HA ' ' A' ' 7' ' ' ASP . 3.9 tpm_? -81.17 -1.89 46.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.16 -7.73 44.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -103.18 84.06 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.898 ' HA ' HH12 ' A' ' 4' ' ' ARG . 22.7 m-20 -80.83 85.43 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.605 0.717 . . . . 0.0 111.3 -175.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.69 21.96 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.888 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HD12 ' A' ' 18' ' ' LEU . 3.7 tt -62.58 130.9 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.444 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.83 156.52 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.943 0.401 . . . . 0.0 111.639 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.73 134.47 95.29 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.861 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HE2' ' A' ' 45' ' ' MET . 40.1 Cg_endo -67.77 -16.04 45.36 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.36 2.04 . . . . 0.0 112.218 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 t -95.27 -65.98 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.04 -5.89 54.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.776 -173.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 54.98 25.64 7.1 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.65 145.54 26.35 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.21 131.42 44.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.851 0.325 . . . . 0.0 110.422 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD22 ' SG ' ' A' ' 29' ' ' CYS . 39.0 mt -86.99 172.67 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.97 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.95 106.38 7.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -77.93 107.6 10.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.333 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 16.0 mm-40 -88.61 138.97 30.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 7.3 mpt_? -92.38 34.5 1.04 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.317 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.39 -63.9 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.372 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 19.4 tt0 -122.18 4.65 9.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.19 63.36 0.13 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.843 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -118.61 143.05 47.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' PHE . 66.0 mt -94.1 101.18 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 53' ' ' LEU . 65.3 t -82.25 108.81 15.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.381 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' SG ' HD22 ' A' ' 18' ' ' LEU . 8.2 m -72.27 105.75 4.16 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -82.23 13.82 3.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.231 -176.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.48 -51.58 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.283 0.563 . . . . 0.0 109.78 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.39 -23.85 61.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.716 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 60.76 55.88 3.12 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.893 0.854 . . . . 0.0 110.136 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 52' ' ' SER . 95.0 mt -134.35 171.5 14.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.469 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.7 106.75 7.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.647 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 23.4 m-85 -89.72 111.09 44.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 3.3 Cg_exo -75.6 127.33 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.798 2.332 . . . . 0.0 112.173 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 58.0 t -87.23 107.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -98.19 99.13 10.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.454 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 53.59 54.5 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.36 -30.09 5.39 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.177 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.02 110.18 42.29 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 74.4 Cg_endo -78.87 122.79 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.4 mm -77.88 92.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HE2' ' HD3' ' A' ' 12' ' ' PRO . 91.9 mtp -92.79 16.84 11.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.391 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.95 105.61 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -14.86 62.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -173.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.77 -16.66 31.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.704 0.287 . . . . 0.0 110.946 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.43 8.34 16.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.89 175.6 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.22 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -96.6 135.72 38.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.568 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.6 t -92.17 155.19 18.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 28' ' ' VAL . 86.0 mt -115.29 -4.1 12.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.293 175.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.27 -32.08 15.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.756 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.62 91.37 3.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.197 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.34 -174.92 3.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.726 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -95.77 137.21 21.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 52.0 Cg_exo -54.88 127.8 27.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.868 2.379 . . . . 0.0 112.405 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.31 171.81 14.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.96 138.13 35.18 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.979 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -51.06 -53.98 6.23 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.341 2.694 . . . . 0.0 112.627 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 p -92.51 100.94 13.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.659 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.12 157.82 15.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.339 . . . . 0.0 111.31 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.26 94.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.807 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.8 t60 53.64 35.14 20.34 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.81 0.694 . . . . 0.0 111.026 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -106.47 130.97 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.8 t60 67.48 29.46 7.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.888 0.742 . . . . 0.0 110.571 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' HIS . 85.2 t60 -73.91 99.86 3.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.173 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 73.19 -32.68 0.25 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.544 0.737 . . . . 0.0 111.98 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 68' ' ' HIS . 4.9 p80 . . . . . 0 C--O 1.246 0.897 0 C-N-CA 124.778 1.231 . . . . 0.0 110.95 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.636 0.255 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -125.92 97.13 5.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.593 0.235 . . . . 0.0 110.81 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -172.64 -68.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.316 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 60.66 87.44 0.09 Allowed 'General case' 0 C--O 1.233 0.219 0 O-C-N 124.017 0.823 . . . . 0.0 110.681 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 6' ' ' LEU . 6.5 tt -153.74 117.88 4.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.225 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER 64.2 48.47 2.9 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.06 -63.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 9' ' ' LEU . 24.1 mm -83.0 -91.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.258 -174.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 90.2 mt -147.17 134.01 20.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.467 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.79 153.56 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.621 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 41.5 t -61.35 127.56 88.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 32.0 Cg_exo -58.54 -30.01 90.59 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.856 2.37 . . . . 0.0 112.408 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.77 -52.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.761 0.315 . . . . 0.0 111.588 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 45.2 t -91.5 -9.01 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -171.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.98 26.67 6.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 112.225 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.01 163.1 29.09 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.404 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 133.27 51.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.681 0.24 . . . . 0.0 110.859 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 9' ' ' LEU . 79.7 mt -89.34 128.74 35.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.9 mt-10 -103.07 122.89 45.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.599 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 84.7 t80 -78.12 97.82 5.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.411 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -92.27 174.83 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 10.3 ptm180 -141.3 37.22 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.15 -174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.62 -50.99 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -123.44 13.61 9.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.514 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.56 52.66 2.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.526 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -107.22 145.99 31.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.879 -174.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 50.3 mt -92.1 105.89 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.06 133.4 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.257 0.551 . . . . 0.0 111.377 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 m -103.72 109.05 20.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.994 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -70.39 -7.16 40.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.98 -62.15 1.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.66 -8.98 57.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.336 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 61.93 39.43 13.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.561 0.696 . . . . 0.0 110.804 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.5 mt -104.21 148.73 25.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.272 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 37' ' ' PRO . . . -126.73 118.77 25.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.701 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.29 99.81 6.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.002 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.3 Cg_exo -78.95 141.84 17.01 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.01 2.473 . . . . 0.0 112.773 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 64.6 t -83.93 100.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.271 0.557 . . . . 0.0 110.113 175.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.35 93.14 5.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.738 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 57.68 29.25 17.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.37 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.63 -15.09 11.57 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.892 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.67 109.03 50.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.897 0.349 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 37.5 Cg_endo -66.55 118.03 5.21 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.503 2.135 . . . . 0.0 112.044 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -79.77 89.99 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 109.827 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.79 16.81 14.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.005 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.13 122.46 31.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.33 -38.88 74.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.391 0.432 . . . . 0.0 110.91 -175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.041 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.88 13.55 22.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 0.0 110.975 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 161.76 16.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -99.42 116.64 32.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 28.5 t -91.03 153.31 20.23 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 110.732 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.78 -11.83 24.46 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.691 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.03 -37.56 8.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.536 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -96.58 27.11 4.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.76 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.33 22.03 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.988 0.899 . . . . 0.0 109.841 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.8 106.4 54.84 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.37 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.13 138.07 46.16 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 111.986 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.15 -3.64 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.029 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.41 142.69 37.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.842 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.99 -169.59 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.216 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.1 m -79.77 176.07 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.0 mp 66.99 17.96 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.447 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.22 135.03 55.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -82.32 24.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -93.44 85.1 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.452 0.644 . . . . 0.0 110.901 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -103.26 132.55 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -64.49 132.37 49.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 111.159 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -90.74 2.37 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.663 0.744 . . . . 0.0 109.436 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.515 178.709 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.51 86.26 2.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.192 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -150.62 124.25 9.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.799 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -100.27 90.07 4.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.4 63.05 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.188 0.518 . . . . 0.0 111.165 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.72 -178.86 3.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.638 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 63.54 23.17 13.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.6 pt -97.26 -17.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.663 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HB3' HD12 ' A' ' 18' ' ' LEU . 77.4 mt -96.14 105.33 17.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 17' ' ' ARG . 29.3 m -136.16 158.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.916 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.8 t -70.78 133.84 86.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.019 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 Cg_exo -66.85 -25.47 45.44 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.475 2.116 . . . . 0.0 112.197 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.48 -68.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.62 1.17 57.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.85 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.9 mmtp 53.5 28.43 7.68 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.155 0.503 . . . . 0.0 111.728 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.07 133.73 13.8 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.593 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 10' ' ' VAL . 73.6 mtt85 -65.14 136.35 56.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.638 0.256 . . . . 0.0 110.522 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 79.5 mt -85.2 149.03 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.104 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.27 133.13 54.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.949 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -88.39 115.99 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 111.545 -173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -84.8 109.68 18.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.922 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 22' ' ' ARG . 59.8 mtt180 -73.98 85.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.172 0.511 . . . . 0.0 110.504 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.08 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.894 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -122.94 17.44 10.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.574 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.08 64.99 1.61 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.948 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -117.44 128.07 54.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.723 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 80.0 mt -98.09 105.12 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.87 120.55 36.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' HA ' HD23 ' A' ' 18' ' ' LEU . 42.3 t -68.93 112.54 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.02 13.2 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.292 0.568 . . . . 0.0 110.993 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.31 -50.63 2.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -94.02 1.3 56.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.42 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? 54.12 45.6 27.13 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.84 0.353 . . . . 0.0 111.839 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 52' ' ' SER . 76.7 mt -126.31 132.51 51.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 119.74 39.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.875 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 62.1 m-85 -108.2 112.2 61.44 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 12.7 Cg_exo -69.98 135.77 30.77 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.957 2.438 . . . . 0.0 112.638 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 44.0 t -84.96 108.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.818 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -91.34 69.03 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t0 54.05 78.14 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.365 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.23 -48.46 1.41 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.974 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.8 t -104.48 116.78 60.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 117.009 0.404 . . . . 0.0 110.756 -176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 55.5 Cg_endo -72.28 118.18 5.49 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.611 2.208 . . . . 0.0 111.682 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.95 98.12 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.258 0.551 . . . . 0.0 110.26 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 75.2 mtp -95.64 25.03 4.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.393 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.35 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.73 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.95 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.383 0.427 . . . . 0.0 111.371 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -23.05 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -117.5 5.71 12.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.72 139.59 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 0.0 111.366 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -108.3 125.08 51.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.987 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' HD23 ' A' ' 34' ' ' LEU . 17.8 t -85.14 157.6 20.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.119 0.485 . . . . 0.0 110.054 175.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.4 -2.37 58.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.833 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.51 -49.51 16.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.173 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.96 79.65 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.936 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.02 143.66 33.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.775 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 119.95 51.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.879 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.0 144.26 46.36 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.812 2.341 . . . . 0.0 112.488 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.92 136.53 33.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.56 159.42 74.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.053 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.14 97.46 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.892 2.395 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -124.83 18.38 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.62 110.19 21.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.81 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -87.81 -171.81 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.4 85.0 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.442 0.639 . . . . 0.0 110.027 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -86.24 116.57 24.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.897 -171.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -114.85 -27.47 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 51.21 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.084 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.34 131.27 5.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.678 177.68 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.668 0.271 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -123.55 109.87 14.33 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.425 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -69.26 -74.05 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -149.13 146.89 27.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.49 114.21 23.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.131 0.491 . . . . 0.0 110.861 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -109.3 142.95 39.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.614 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -92.23 -72.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 pp -149.14 164.29 4.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.999 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 mt -142.19 152.16 42.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 34.5 m -110.23 149.5 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m -59.98 140.73 90.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.383 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.22 -45.09 40.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.588 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -90.15 -67.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -67.22 -20.05 65.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 58.27 32.13 21.67 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 111.07 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -93.13 179.92 39.62 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.228 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 ttp-105 -83.83 128.35 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.852 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.6 mt -87.3 158.79 18.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -118.54 141.61 48.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -101.24 121.98 42.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.9 0.381 . . . . 0.0 111.486 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -80.08 121.0 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.358 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -79.01 33.96 0.23 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 111.827 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.18 -46.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 15.2 mm100 -79.1 -25.86 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.46 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.0 26.18 15.38 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 123.552 0.532 . . . . 0.0 110.802 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 24' ' ' GLN . 11.4 pt-20 -104.68 149.49 25.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.287 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.9 mt -100.05 109.33 21.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.065 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.26 128.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.687 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.61 92.91 8.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.172 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.51 -29.25 69.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.249 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.13 -11.38 28.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -112.84 -9.48 13.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 63.2 31.69 15.44 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.129 0.49 . . . . 0.0 110.709 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -125.22 179.75 4.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.014 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.49 133.4 9.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.107 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.67 104.21 26.4 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.273 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.05 123.64 5.19 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.165 2.577 . . . . 0.0 112.721 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 85.6 t -85.39 119.82 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.97 45.61 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 55.9 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.861 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.37 -49.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.945 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -100.62 106.29 42.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.641 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.27 123.35 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 111.653 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 49' ' ' GLU . 50.8 mm -96.9 101.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.409 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.61 6.84 45.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.74 116.55 15.58 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.72 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.23 -18.48 64.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.029 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.96 67.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' HG21 ' A' ' 44' ' ' ILE . 42.3 mm-40 -106.55 8.78 31.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.036 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.81 153.62 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.554 -175.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -90.69 115.53 27.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.511 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 t -81.51 144.92 30.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.559 0.695 . . . . 0.0 111.204 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.54 -10.73 39.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.454 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -87.67 -31.9 19.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.586 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.51 -3.46 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.878 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.17 161.81 13.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.923 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -77.0 115.25 46.95 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.553 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 16.6 Cg_exo -67.04 134.53 34.52 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.861 2.374 . . . . 0.0 112.048 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 136.83 56.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.459 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -67.33 148.86 98.66 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.227 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.91 126.48 15.02 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.242 2.628 . . . . 0.0 112.55 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -56.08 136.28 52.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.34 125.2 23.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.599 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 65.66 94.43 0.06 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.89 0.744 . . . . 0.0 110.691 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -80.55 74.6 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.875 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.34 113.13 16.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -83.57 142.41 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.114 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -88.32 106.73 18.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.774 0.321 . . . . 0.0 110.297 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -147.94 143.53 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.89 176.242 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.158 0.504 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.81 99.03 11.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 64.71 -170.61 0.19 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.952 0.782 . . . . 0.0 109.677 -170.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -78.95 -70.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.95 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.37 115.06 9.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.869 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.57 22.72 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.362 0.601 . . . . 0.0 110.993 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -157.14 102.2 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 9' ' ' LEU . 19.9 pt -113.22 -54.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 18' ' ' LEU . 1.6 mm? -99.66 113.22 25.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.042 0.449 . . . . 0.0 111.454 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.948 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.6 m -125.8 148.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.036 177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.27 124.26 59.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -57.04 -33.56 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.4 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.94 -64.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.495 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.5 m -89.28 -12.74 39.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 57.48 28.74 15.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.549 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.37 10.91 64.91 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.134 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.5 ttm180 70.99 154.52 0.13 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.458 0.703 . . . . 0.0 111.664 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD12 HD12 ' A' ' 9' ' ' LEU . 83.5 mt -116.36 128.54 55.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -99.86 132.32 45.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' HA ' HD23 ' A' ' 27' ' ' LEU . 92.1 t80 -77.84 112.41 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.389 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -95.08 152.95 17.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.165 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -93.09 16.18 13.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.566 0.698 . . . . 0.0 110.748 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.67 109.73 18.15 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.003 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 71.1 2.27 4.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.583 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.58 35.09 22.52 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.514 0.509 . . . . 0.0 110.725 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 15.1 pt-20 -98.62 138.45 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 50.8 mt -85.57 107.97 17.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.862 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' ALA . 96.6 t -95.38 122.03 46.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.032 0.444 . . . . 0.0 111.048 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' HD23 ' A' ' 18' ' ' LEU . 47.5 t -90.71 113.33 25.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.762 0.315 . . . . 0.0 111.473 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.47 -33.85 28.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.22 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -99.83 -15.36 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 64.45 26.77 13.5 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.376 0.608 . . . . 0.0 110.243 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -113.22 149.61 33.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.618 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 28' ' ' VAL . . . -124.92 115.35 20.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 94.5 m-85 -100.95 104.53 32.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 12.1 Cg_exo -69.37 135.67 32.02 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.779 2.32 . . . . 0.0 112.834 -175.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.588 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 53.7 t -89.01 108.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.914 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -92.47 73.02 5.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.152 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 57.45 88.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.87 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.93 -31.27 3.1 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.386 176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.18 112.64 44.05 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 117.07 0.435 . . . . 0.0 111.477 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.57 114.76 4.04 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.013 2.475 . . . . 0.0 111.087 174.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -81.06 88.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.112 0.482 . . . . 0.0 110.375 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.548 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 72.9 mtm -89.32 66.65 7.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.389 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -119.87 140.63 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.775 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.21 -12.2 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.681 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.44 -11.89 36.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.02 -29.57 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.333 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.21 35.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.216 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 16.7 ptt180 -96.9 149.0 22.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 22.4 t -101.11 145.86 28.22 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.247 0.546 . . . . 0.0 110.583 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.54 -9.01 59.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.531 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -107.1 -19.82 13.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.306 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.37 -32.5 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.849 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 52' ' ' SER . 8.0 pt-20 -89.77 -170.13 2.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -72.65 122.75 88.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 4.8 Cg_exo -78.65 -158.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.592 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.46 153.49 38.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.839 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 23.0 mp0 -61.45 120.92 59.94 Favored Pre-proline 0 C--N 1.33 -0.258 0 O-C-N 123.658 0.599 . . . . 0.0 110.998 -175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 6.2 Cg_exo -74.11 82.16 1.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.806 2.337 . . . . 0.0 111.142 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 m -141.84 -156.63 0.7 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.846 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.83 7.08 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.581 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -84.67 78.41 9.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -145.17 174.55 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -106.95 107.54 18.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -156.29 -168.57 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.958 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -74.1 115.91 14.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.855 0.359 . . . . 0.0 110.532 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -76.01 98.28 4.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.864 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.809 179.412 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 70.82 -93.52 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.388 0.43 . . . . 0.0 110.898 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 46.3 47.06 13.7 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 111.696 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -98.15 28.72 3.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.348 . . . . 0.0 111.002 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.34 -58.87 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.477 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 19' ' ' GLU . 87.8 mt 57.73 42.45 23.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.396 0.617 . . . . 0.0 110.747 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -76.58 -20.07 57.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.805 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.5 pt -84.96 -4.18 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 75.8 mt -119.55 115.17 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.726 0.298 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.1 m -127.14 145.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.193 0.52 . . . . 0.0 111.69 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 13.5 t -65.43 138.5 96.99 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.535 175.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.54 -29.74 44.05 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.596 2.197 . . . . 0.0 112.803 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.4 -67.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.363 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.0 m -81.04 -6.59 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.705 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 14.6 mmmm 53.15 30.93 10.52 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.954 0.501 . . . . 0.0 111.923 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.0 160.65 24.18 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -67.86 141.07 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.552 . . . . 0.0 111.755 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 67.5 mt -97.36 140.6 31.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.9 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 6' ' ' LEU . 9.0 pt-20 -121.21 133.59 55.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.948 0.404 . . . . 0.0 110.917 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -83.7 106.95 15.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -100.67 138.31 37.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.291 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -91.2 68.61 6.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.568 0.699 . . . . 0.0 110.349 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.63 -58.22 1.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -116.77 -55.61 2.34 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 161.08 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.464 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 1.2 pm0 -104.44 144.52 31.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.517 0.675 . . . . 0.0 112.789 -170.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 47.7 mt -85.32 103.7 14.48 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.973 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.44 129.23 37.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.272 0.558 . . . . 0.0 111.449 -174.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.5 m -98.41 103.43 15.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.025 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -62.29 -32.67 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.649 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.57 -48.7 16.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 111.542 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.83 -16.53 56.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.316 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 58.33 42.1 22.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.762 0.791 . . . . 0.0 110.191 -173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.72 176.36 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.672 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -154.28 124.8 7.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.05 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 80.5 m-85 -96.15 103.58 14.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.364 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.593 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 5.5 Cg_exo -76.91 134.28 14.58 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.11 2.54 . . . . 0.0 112.548 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.9 t -86.41 118.67 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -102.02 90.55 4.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 45.59 69.62 0.44 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.909 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 89.4 -26.59 8.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.308 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -102.54 104.61 39.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.998 0.399 . . . . 0.0 111.428 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 11.6 Cg_exo -70.84 116.67 4.77 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.689 2.259 . . . . 0.0 111.072 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.65 89.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.21 0.528 . . . . 0.0 110.506 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.443 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 90.8 mmm -87.22 20.16 2.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.417 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.91 119.25 23.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.781 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.4 -26.58 68.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.092 -170.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 0.58 52.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.22 6.4 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.58 35.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -70.07 130.78 43.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -102.69 142.29 34.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.753 0.787 . . . . 0.0 111.639 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.0 mt -110.83 -10.25 14.44 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.139 -1.392 . . . . 0.0 108.703 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.55 -28.55 51.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.804 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -11.71 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.45 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 6.2 tt0 -89.29 -160.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' H ' ' HG2' ' A' ' 56' ' ' GLU . . . 70.85 163.76 0.14 Allowed Pre-proline 0 N--CA 1.465 0.294 0 C-N-CA 123.385 0.674 . . . . 0.0 110.449 -173.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.41 95.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.188 1.925 . . . . 0.0 112.751 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.0 151.29 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 27.3 mm-40 -88.19 112.26 48.4 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 4.7 Cg_exo -80.09 128.46 7.36 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.865 2.377 . . . . 0.0 112.039 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -60.87 125.49 23.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.297 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.88 93.34 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.4 165.08 16.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -72.2 84.89 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -130.02 173.33 10.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.62 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.473 ' HD2' ' O ' ' A' ' 69' ' ' HIS . 3.3 t60 -77.65 126.84 31.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.551 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.54 -24.2 64.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -173.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 20.3 p80 -134.9 -179.69 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 174.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.882 178.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.5 0.19 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -108.7 105.48 15.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -73.57 157.18 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.129 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.87 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -110.67 15.79 21.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.648 175.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 tp -119.87 -56.84 2.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.676 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.22 14.28 6.56 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.12 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.92 -3.24 57.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.797 0.808 . . . . 0.0 109.886 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 pt -87.87 14.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.651 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 27' ' ' LEU . 97.6 mt -74.05 97.02 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.23 0.538 . . . . 0.0 110.646 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.019 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.9 m -98.14 155.5 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.308 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -63.95 127.32 91.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.056 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.46 -22.91 75.76 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.393 2.062 . . . . 0.0 112.216 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.49 -71.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -95.73 -0.23 51.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -172.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.39 13.85 5.32 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.44 33.58 4.29 Favored Glycine 0 CA--C 1.512 -0.14 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.501 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 1.019 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 45.3 ttp180 67.94 160.72 0.17 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.283 0.633 . . . . 0.0 111.174 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -117.4 164.84 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.091 175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 33.4 mt-10 -111.73 126.65 55.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.88 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' HD23 ' A' ' 27' ' ' LEU . 83.5 t80 -79.31 99.49 7.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -104.84 158.5 16.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.176 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -123.6 76.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.739 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.4 -44.37 5.92 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 168.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 tp-100 -128.35 -60.8 1.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 168.1 86.1 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.917 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 1.4 pm0 -148.62 154.0 39.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -171.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 56.2 mt -98.48 114.36 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.485 172.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.98 130.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.221 0.534 . . . . 0.0 112.042 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -94.25 105.88 17.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.1 68.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.42 -15.41 23.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 61.05 30.99 19.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.0 mt -97.29 143.19 28.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.824 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -118.82 110.17 16.9 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.179 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.6 114.73 45.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.953 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 44' ' ' ILE . 59.4 Cg_endo -72.49 126.65 11.74 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.586 2.191 . . . . 0.0 113.457 -173.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 47.7 t -99.89 109.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.21 74.52 6.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.242 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 47.56 84.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.055 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 92.17 -38.64 3.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.848 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.32 104.99 37.09 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 111.071 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 73.1 Cg_endo -83.23 117.19 2.46 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 37' ' ' PRO . 44.4 mm -84.02 86.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.372 0.606 . . . . 0.0 109.543 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.2 mtp -88.6 59.86 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.631 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.7 115.77 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.728 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -56.31 -39.09 72.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.902 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.87 47.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 111.557 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.8 14.78 13.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.7 151.42 28.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.101 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' H ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -108.62 157.28 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -88.4 162.87 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.31 0.576 . . . . 0.0 110.904 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.16 -4.59 16.43 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.182 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.19 -2.26 3.57 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.122 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.31 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.15 164.53 23.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.0 156.21 0.16 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.838 0.711 . . . . 0.0 111.127 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.37 99.69 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.172 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.78 137.15 33.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.72 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -122.01 162.21 38.42 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.881 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.98 144.43 68.25 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.141 1.894 . . . . 0.0 110.531 170.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.99 88.23 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.146 0.498 . . . . 0.0 111.832 -172.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -82.69 108.19 15.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.97 148.19 49.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.328 0.585 . . . . 0.0 111.719 -172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -88.92 98.03 11.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -54.44 134.02 45.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.394 0.616 . . . . 0.0 111.701 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.87 139.42 30.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.239 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -82.88 161.41 21.9 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -62.2 108.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 110.673 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.2 m170 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.323 -177.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' HG2' ' A' ' 2' ' ' GLU . 12.5 tmm? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 10.8 mm-40 63.67 94.16 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.819 0.699 . . . . 0.0 110.773 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -67.19 95.08 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 2' ' ' GLU . 93.8 mtt-85 -88.04 126.45 35.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.372 -173.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp 59.83 83.0 0.14 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.745 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -146.36 102.3 3.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 64.81 -72.15 0.07 Allowed 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.923 0.764 . . . . 0.0 111.715 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.5 mt 67.5 97.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.256 0.551 . . . . 0.0 111.205 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 18' ' ' LEU . 75.2 mt -126.46 148.65 49.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.074 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -124.37 162.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.817 0.342 . . . . 0.0 110.995 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.92 130.43 91.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.156 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.16 -37.95 93.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.252 . . . . 0.0 112.491 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.93 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.5 m -78.66 -12.83 60.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 57.57 19.21 5.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 169.25 45.54 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 8.3 mpt_? -68.41 145.11 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.111 0.456 . . . . 0.0 110.893 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.5 mt -96.64 120.51 37.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 12.8 tt0 -90.78 108.56 19.91 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.992 0.425 . . . . 0.0 110.336 -172.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.58 108.88 5.86 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.563 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 60.6 mt-30 -106.27 168.91 8.82 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 22' ' ' ARG . 50.8 mtm180 -129.0 73.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.284 0.564 . . . . 0.0 111.701 -178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . . . -110.66 -39.42 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -154.62 31.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.553 170.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.1 76.61 0.31 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.893 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.7 pm0 -119.4 141.17 49.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.329 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 11.7 mt -103.58 100.2 10.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 71.8 t -67.36 117.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.383 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 25.2 m -68.97 101.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -60.21 -35.56 75.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.339 -168.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.05 6.78 45.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.268 -176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 11.1 m-20 -126.17 -12.72 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.615 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 33' ' ' ARG . 3.1 mmm-85 62.82 32.88 15.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.33 0.586 . . . . 0.0 110.483 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 97.4 mt -116.15 -176.3 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.687 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -153.55 119.54 5.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.6 m-85 -90.9 111.55 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.119 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -78.58 132.27 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.232 2.621 . . . . 0.0 112.502 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 42.6 t -97.92 100.22 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -109.26 115.81 30.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.384 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 56.32 51.59 11.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.386 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.38 -2.91 69.41 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.444 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -115.91 106.82 49.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.916 0.358 . . . . 0.0 110.799 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.9 Cg_exo -72.67 111.94 3.36 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.738 2.292 . . . . 0.0 111.417 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 50.7 mm -79.63 98.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 0.0 110.669 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.09 25.7 4.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.363 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' GLU . 72.0 mt -83.03 118.6 23.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.69 -49.87 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.33 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.18 -17.8 60.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 0.0 110.933 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 46' ' ' LEU . 1.5 mp0 -98.77 4.19 47.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.456 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.5 162.17 23.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.236 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -103.96 121.6 43.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.948 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.6 t -90.56 155.77 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.351 0.596 . . . . 0.0 111.084 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.05 -18.38 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.167 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.85 3.53 53.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.373 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.47 5.4 23.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.317 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.14 124.87 28.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.685 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.7 124.6 86.47 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.938 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.36 152.23 79.35 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.559 2.172 . . . . 0.0 111.858 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.44 101.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.582 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.29 133.76 56.44 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.74 141.51 92.06 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.488 2.125 . . . . 0.0 111.601 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -94.23 147.66 22.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.64 -163.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.079 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 62.89 31.16 16.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.673 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -61.06 140.18 57.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.907 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -97.08 152.86 18.35 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -109.5 113.97 27.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -90.1 12.13 18.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.455 -169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -138.2 149.54 45.91 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.884 179.083 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.519 0.199 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.19 -71.65 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.633 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -84.75 102.67 13.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -84.52 106.05 15.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.487 0.66 . . . . 0.0 110.862 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.04 -31.5 64.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.089 -177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 9' ' ' LEU . 96.5 mt -88.86 106.0 18.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.381 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -103.63 -56.72 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.582 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 62.2 mt -76.01 -63.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 -174.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 6' ' ' LEU . 95.4 mt 73.36 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.0 0.812 . . . . 0.0 111.543 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.57 172.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.119 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.89 132.29 93.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.272 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.41 -16.87 27.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.418 2.079 . . . . 0.0 112.434 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.56 -72.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.02 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.92 -12.26 31.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 52.06 55.86 8.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.24 0.543 . . . . 0.0 110.382 -171.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.14 -138.62 6.9 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.056 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.69 143.7 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.914 172.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -132.28 124.86 29.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -89.42 118.05 28.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -94.49 124.0 38.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.29 38.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.17 -72.42 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.088 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -101.39 7.08 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.199 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.76 76.99 0.33 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.343 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 pt-20 -144.01 140.14 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.121 -173.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.73 97.87 10.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 56.9 t -80.86 107.66 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.1 t -71.39 115.68 10.84 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -69.95 -24.55 63.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.149 -174.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.95 -46.74 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.63 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -92.6 -9.85 39.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.054 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 60.32 40.42 17.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.351 0.596 . . . . 0.0 110.605 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' SER . 50.3 mt -120.02 123.72 44.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.769 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . . . -98.55 110.98 23.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.5 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -85.09 113.94 53.08 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.114 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.52 129.72 18.36 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.07 2.513 . . . . 0.0 112.34 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 52.5 t -96.99 120.02 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.744 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -101.26 87.18 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 51.45 73.3 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.687 0.617 . . . . 0.0 111.274 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.4 -35.32 3.18 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.432 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 47.4 t -99.43 111.73 61.95 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.011 0.405 . . . . 0.0 111.202 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.3 Cg_exo -79.13 132.11 10.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.07 2.513 . . . . 0.0 112.281 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.26 99.3 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.96 18.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.842 -175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.37 119.08 30.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.131 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -38.55 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.565 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.62 -11.06 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -127.16 16.59 7.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.07 0.462 . . . . 0.0 110.816 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 158.96 15.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 64.8 ttt180 -91.68 103.38 15.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.2 t -80.21 135.99 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.442 0.639 . . . . 0.0 111.08 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.19 0.41 37.51 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.506 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.81 -28.47 16.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.231 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.94 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.513 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.62 142.7 57.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.52 143.12 96.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.186 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 Cg_exo -71.14 93.61 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.864 2.376 . . . . 0.0 111.915 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.37 100.67 10.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.842 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 75.3 mt-30 -68.46 134.84 90.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.002 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 32.7 Cg_exo -61.42 109.68 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.351 2.034 . . . . 0.0 111.712 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -84.09 117.35 23.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.48 168.71 15.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 72.25 125.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.856 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -69.86 -22.98 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.593 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.54 106.57 0.79 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.024 174.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -135.38 143.06 45.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.595 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -145.57 145.44 31.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -69.24 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 p80 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.009 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.17 79.26 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.444 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -87.62 -3.35 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.344 0.592 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -126.17 111.28 14.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.51 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.855 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -86.75 92.93 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.446 0.641 . . . . 0.0 111.432 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.2 105.2 17.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.635 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.7 -41.62 78.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 pt -131.28 118.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.157 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' VAL . 3.6 tt -89.02 128.69 35.72 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 9' ' ' LEU . 20.4 m -112.56 137.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.173 0.511 . . . . 0.0 110.807 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.3 t -75.25 120.71 82.91 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.819 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 Cg_exo -64.34 -16.49 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.745 2.296 . . . . 0.0 112.658 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.63 -54.44 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.466 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -116.45 -11.37 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 52.17 57.2 6.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.48 0.657 . . . . 0.0 110.544 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.58 174.45 15.31 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.827 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' A' ' 19' ' ' GLU . 8.9 tpt180 -67.57 115.49 7.23 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.978 0.511 . . . . 0.0 111.647 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.17 124.72 51.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CG ' ' HE ' ' A' ' 17' ' ' ARG . 50.7 mt-10 -126.3 135.28 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.535 0.207 . . . . 0.0 111.055 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.76 98.37 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.045 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.02 136.57 41.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -91.65 76.9 5.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.512 0.672 . . . . 0.0 111.851 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.87 -56.08 2.41 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.535 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 5.6 tt0 -127.15 11.93 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.9 75.54 0.31 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.457 -175.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 24' ' ' GLN . 1.4 pm0 -135.89 156.16 49.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.364 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.58 96.6 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.736 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 53' ' ' LEU . 95.0 t -68.3 125.05 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.318 -176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m -96.91 100.4 11.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.374 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.43 52.23 2.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.588 . . . . 0.0 111.391 -173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.13 -64.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.826 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.02 5.51 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.239 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 53' ' ' LEU . 64.3 mtt180 60.24 39.52 19.04 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 111.437 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -112.69 175.6 5.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.35 113.0 2.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.103 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 58.6 m-85 -80.69 111.34 22.32 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 4.7 Cg_exo -73.89 137.79 24.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.882 2.388 . . . . 0.0 112.395 -175.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -90.16 99.95 10.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 39' ' ' ARG . 31.4 ttt180 -79.02 82.63 5.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.691 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 t70 64.56 -80.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.18 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.65 8.37 6.51 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.965 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -123.71 104.87 33.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.637 0.256 . . . . 0.0 110.627 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.67 125.55 12.86 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.421 2.081 . . . . 0.0 111.313 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.541 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 46.1 mm -86.39 102.11 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.356 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mmm -84.58 -11.08 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.8 mt -74.05 117.35 15.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.159 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.62 -29.38 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.901 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.95 -23.3 67.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.633 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HG21 ' A' ' 44' ' ' ILE . 44.7 mt-10 -114.06 7.1 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.207 0.527 . . . . 0.0 110.186 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.031 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.798 ' HB2' ' HG3' ' A' ' 56' ' ' GLU . 5.5 ptm180 -99.31 146.58 26.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.508 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 26.7 t -89.54 161.74 16.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 33' ' ' ARG . 93.9 mt -87.16 -12.12 47.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.239 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -105.78 -32.32 8.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.715 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -90.14 1.22 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.148 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.798 ' HG3' ' HB2' ' A' ' 51' ' ' ARG . 49.2 mm-40 -132.29 167.11 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.51 145.33 34.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.574 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.26 128.07 27.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.687 2.258 . . . . 0.0 111.427 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.56 157.58 19.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -86.77 138.05 33.44 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.781 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.43 151.29 59.34 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.512 2.142 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -75.47 124.05 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.2 110.18 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.583 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.92 141.23 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.72 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -119.58 108.64 14.73 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.093 0.473 . . . . 0.0 109.789 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -100.81 134.56 43.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -71.64 -38.68 70.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -76.02 138.84 41.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.75 128.41 37.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.765 0.317 . . . . 0.0 111.761 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.083 177.292 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' H ' ' HG3' ' A' ' 1' ' ' MET . 39.4 tt0 -102.34 91.52 4.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -160.4 119.46 2.69 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 -174.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.523 ' HG3' ' CB ' ' A' ' 7' ' ' ASP . 17.6 ttt180 -131.71 92.8 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.06 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.75 109.7 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.8 36.67 24.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.476 0.655 . . . . 0.0 110.068 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 16.3 t70 -75.25 -9.66 58.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.267 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pp -115.84 25.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.01 129.64 40.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.032 0.444 . . . . 0.0 111.533 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 17' ' ' ARG . 26.8 m -125.04 153.65 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.382 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 37.6 t -60.39 126.33 84.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.185 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.85 -24.48 77.25 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 112.928 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.24 -66.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.629 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.0 t -94.6 6.76 47.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.619 -174.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 13.3 mptt 53.61 25.04 4.58 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.838 0.455 . . . . 0.0 112.136 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.98 120.95 8.94 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.722 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HA ' HG12 ' A' ' 10' ' ' VAL . 18.8 ttt180 -62.34 122.78 16.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.33 153.99 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 122.12 33.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -88.33 110.6 20.9 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.746 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.17 142.43 31.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 109.921 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -91.53 9.0 33.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.53 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 -73.25 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.816 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.18 9.21 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.09 49.41 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.407 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.75 147.1 31.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.647 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -99.97 106.45 18.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 35' ' ' ALA . 47.8 t -85.68 123.26 39.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.553 -174.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' ALA . 37.3 m -74.19 105.91 5.6 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -74.42 24.33 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . -105.21 -69.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.1 4.21 54.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.104 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 61.28 38.24 16.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.385 0.612 . . . . 0.0 111.075 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 52' ' ' SER . 26.2 mt -94.75 114.69 26.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.361 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . . . -93.87 114.09 26.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 19.9 m-85 -76.36 112.89 23.89 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.401 174.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 1.2 Cg_endo -83.0 128.99 5.23 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.874 2.383 . . . . 0.0 112.43 -176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 93.4 t -80.51 106.55 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -90.17 80.5 6.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.024 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.2 t70 42.43 81.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.466 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.97 -39.05 2.95 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.072 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.6 111.92 62.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 -176.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 56.7 Cg_endo -73.44 122.74 8.15 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 111.677 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.608 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 45.9 mm -81.71 102.13 7.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.4 mmm -87.88 2.87 50.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.662 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.47 118.93 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.397 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.73 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 111.436 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.97 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.556 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' ILE . 36.6 mt-10 -107.75 -6.49 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 0.0 110.372 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.29 155.34 40.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 51' ' ' ARG . 40.4 ttp180 -103.91 116.5 32.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB2' HD23 ' A' ' 34' ' ' LEU . 13.6 t -80.93 150.21 29.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.232 0.539 . . . . 0.0 110.372 174.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.36 -16.94 57.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.281 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.07 -13.71 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.018 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.19 -21.86 53.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.318 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.61 94.55 4.83 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.762 0.792 . . . . 0.0 109.976 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -159.64 135.92 6.37 Favored Pre-proline 0 C--N 1.307 -1.259 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.48 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 24.3 Cg_exo -62.88 104.44 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.2 164.07 11.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -129.25 95.0 31.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.387 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -179.17 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.193 2.596 . . . . 0.0 111.048 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -86.5 108.36 18.5 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.87 89.95 5.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.99 106.77 16.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.449 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -122.68 139.9 53.45 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 167.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -103.67 113.13 26.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.533 0.682 . . . . 0.0 110.808 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.11 106.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.987 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -118.72 116.71 27.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.223 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.23 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 p80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 175.456 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -76.78 79.73 3.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.552 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -99.76 94.15 6.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.6 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.03 100.49 10.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 1.7 pt? -147.72 111.83 5.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.636 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.7 mt -114.04 61.57 0.66 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.504 0.669 . . . . 0.0 110.079 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -91.56 2.55 56.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.854 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -79.67 69.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 0.0 111.525 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -117.96 130.62 56.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.248 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 m -122.33 146.91 26.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 35.2 t -60.16 133.06 90.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.22 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 -26.62 83.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.532 2.155 . . . . 0.0 112.481 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.64 -71.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.2 m -91.05 -0.4 57.72 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 34.8 mmtp 56.19 29.09 14.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 111.633 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.46 161.44 40.83 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -66.67 130.69 44.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.0 112.296 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 67.8 mt -99.76 140.19 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.445 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -127.13 132.08 50.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.695 0.283 . . . . 0.0 110.879 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -79.91 104.86 10.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.61 142.57 27.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -93.9 24.75 4.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.492 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.29 -76.18 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -103.87 11.68 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.61 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.6 75.3 0.41 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.885 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.76 150.86 40.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.203 -171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 49.7 mt -92.49 103.6 16.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.292 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.78 126.31 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.072 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.66 102.65 14.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.094 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.63 47.14 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.35 0.595 . . . . 0.0 111.854 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.01 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.242 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -87.47 -10.02 52.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.194 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 62.95 33.14 15.17 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.481 0.488 . . . . 0.0 110.239 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' SER . 98.8 mt -116.24 176.78 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.59 -176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.47 128.51 11.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.215 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 47' ' ' GLU . 90.1 m-85 -98.18 109.3 51.45 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.054 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.91 142.16 42.23 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.504 2.136 . . . . 0.0 113.278 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -107.98 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -83.92 58.67 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.982 0.42 . . . . 0.0 110.168 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t70 52.35 86.09 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.617 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.03 2.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.393 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.3 107.0 35.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -81.4 111.65 2.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.505 2.137 . . . . 0.0 111.885 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.38 89.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.322 0.582 . . . . 0.0 110.07 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.5 mtp -89.46 15.9 8.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.119 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.06 112.42 7.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.803 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' HE1' ' A' ' 36' ' ' PHE . 36.9 tt0 -53.8 -44.37 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.887 -171.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.13 3.87 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.614 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -114.79 1.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.617 0.246 . . . . 0.0 111.448 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.06 129.44 38.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -89.12 162.32 16.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.605 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' HD23 ' A' ' 34' ' ' LEU . 29.9 t -93.31 155.72 17.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.409 0.623 . . . . 0.0 110.949 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.9 mt -108.29 -5.08 16.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.326 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -94.49 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.247 0.546 . . . . 0.0 110.689 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.46 15.51 5.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.676 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -98.77 134.7 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -75.18 120.39 81.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.027 -174.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 Cg_exo -81.45 133.56 8.49 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.399 2.732 . . . . 0.0 112.145 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.12 -47.43 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 pm0 -96.56 142.16 24.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.65 155.66 27.64 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.571 2.181 . . . . 0.0 112.027 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -120.69 150.32 41.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.93 97.95 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.446 . . . . 0.0 111.288 -176.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.29 166.28 10.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.304 173.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -64.49 112.2 3.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.967 0.413 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -72.72 80.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -144.89 -26.83 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.895 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' HIS . 27.4 t-80 -75.77 67.72 2.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.532 0.682 . . . . 0.0 110.135 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 70' ' ' HIS . 43.2 t-80 169.83 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.492 -1.669 . . . . 0.0 106.492 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 35.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.908 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.92 79.84 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -86.04 -25.71 25.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -161.08 135.34 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt 70.3 106.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.996 0.81 . . . . 0.0 110.079 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.1 tp -79.57 140.19 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.328 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.59 -59.97 2.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.714 -174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.3 mt -94.68 127.41 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 0.0 111.713 -173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.79 139.04 52.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.947 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -129.15 164.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 46.2 t -63.22 120.81 65.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.405 175.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.57 -22.43 72.3 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.85 2.367 . . . . 0.0 112.967 -174.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.88 -60.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.6 m -86.98 -5.27 59.14 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt 60.02 22.51 11.65 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.798 0.439 . . . . 0.0 112.053 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 11' ' ' CYS . . . -77.26 164.55 52.65 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.445 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.96 129.32 34.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.851 0.325 . . . . 0.0 110.785 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 82.5 mt -89.33 135.59 33.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.798 175.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -126.98 127.71 45.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.181 0.515 . . . . 0.0 110.628 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.9 133.25 38.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.136 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 13.3 mm-40 -109.56 164.14 12.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -106.89 24.84 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.016 -174.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.56 -70.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -128.43 24.54 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.82 75.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.52 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.56 149.02 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 36.1 mt -97.5 107.0 19.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 53' ' ' LEU . 75.3 t -84.17 127.34 39.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.282 0.563 . . . . 0.0 111.248 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 10.2 m -83.44 94.79 8.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.923 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.29 52.06 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.981 0.896 . . . . 0.0 111.113 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.15 -47.35 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.262 -1.336 . . . . 0.0 108.671 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -86.11 -14.06 45.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 63.97 33.86 11.97 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.329 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.9 mt -108.3 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.27 115.62 7.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.714 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -86.54 116.85 67.44 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.89 127.93 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 112.612 -176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -92.09 92.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -77.55 93.54 4.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.688 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 55.81 41.43 30.18 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.162 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . 106.04 -24.41 26.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.659 176.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.26 105.52 20.33 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.797 0.332 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 6.1 Cg_exo -73.76 111.39 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.861 2.374 . . . . 0.0 111.731 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -77.19 92.42 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -88.06 10.83 17.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.514 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.4 114.02 19.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.831 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.99 -31.83 71.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.56 66.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.366 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -119.28 22.83 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.81 -176.55 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -140.98 146.77 37.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 27.6 t -95.71 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 28' ' ' VAL . 86.5 mt -72.96 -22.79 60.65 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.236 -176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -106.6 -10.36 16.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.345 0.593 . . . . 0.0 110.666 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 52' ' ' SER . . . -105.85 21.4 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.396 -176.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.7 mt-10 -89.55 -177.15 5.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.271 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . 70.16 148.38 0.12 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.926 0.766 . . . . 0.0 111.08 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 25.0 Cg_exo -63.42 96.83 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.673 2.249 . . . . 0.0 112.726 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.11 -37.43 75.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.882 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' OE1' ' HD2' ' A' ' 61' ' ' PRO . 4.1 tp-100 -74.5 127.21 87.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD2' ' OE1' ' A' ' 60' ' ' GLN . 9.9 Cg_endo -52.64 112.54 0.92 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.033 2.488 . . . . 0.0 112.476 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -102.69 118.58 37.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -74.72 125.46 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -74.48 136.71 42.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.474 0.654 . . . . 0.0 112.226 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -147.5 34.81 0.87 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.012 172.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -60.51 140.08 57.47 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.763 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -95.69 117.21 30.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -95.73 110.82 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -104.5 75.96 1.27 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 0.0 111.591 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.152 175.293 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' HA ' HD11 ' A' ' 5' ' ' LEU . 5.9 mp0 -74.26 -164.89 0.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.622 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m 70.46 -43.65 0.55 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.619 0.768 . . . . 0.0 111.542 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -111.75 92.81 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 2' ' ' GLU . 6.6 mp -122.59 -96.02 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -134.78 118.66 17.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -168.23 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.2 mt 66.78 89.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.85 171.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.63 114.6 28.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.4 174.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.26 148.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.6 128.93 92.33 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.716 176.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.53 -34.64 83.05 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.685 2.256 . . . . 0.0 112.479 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -81.29 -79.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.029 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -85.88 -8.74 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.123 -0.36 . . . . 0.0 111.913 -171.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 45.5 mmtm 53.9 38.42 28.71 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' ASN . . . -80.29 23.71 3.87 Favored Glycine 0 C--N 1.332 0.32 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 68.21 127.92 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.324 0.649 . . . . 0.0 112.027 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -105.8 134.25 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.75 122.33 38.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.125 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -78.77 114.43 17.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.731 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 10.8 mm-40 -103.25 175.03 5.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.183 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -128.79 21.68 5.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -51.24 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.242 0.544 . . . . 0.0 109.857 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt0 -125.61 5.81 7.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.961 175.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.66 62.17 0.53 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.325 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.03 148.76 41.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.635 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.2 102.79 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.29 123.21 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' H ' ' A' ' 34' ' ' LEU . 4.2 m -97.33 111.58 23.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 37.9 m-80 -68.8 -68.95 0.36 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.81 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -69.53 -29.56 67.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.957 0.408 . . . . 0.0 111.729 -175.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.18 -24.11 40.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 58.97 56.34 4.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.734 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' H ' ' HB2' ' A' ' 29' ' ' CYS . 80.7 mt -138.72 -179.6 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.477 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.55 106.71 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.779 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -79.6 122.76 84.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.046 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 125.31 6.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.571 2.181 . . . . 0.0 112.494 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 43.3 t -88.46 98.65 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -89.0 77.37 7.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.122 0.487 . . . . 0.0 110.411 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.53 68.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.028 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.92 -36.39 4.39 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.752 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.09 108.11 51.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.896 0.379 . . . . 0.0 111.068 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 3.2 Cg_exo -76.61 120.18 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.03 2.486 . . . . 0.0 111.423 174.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 49' ' ' GLU . 45.3 mm -72.91 101.0 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.059 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.9 mtp -89.09 14.08 11.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.288 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -92.92 122.35 35.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.2 -26.31 68.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.255 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.31 -8.47 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.789 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HB2' HG21 ' A' ' 44' ' ' ILE . 32.5 mt-10 -125.66 9.86 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.45 143.39 34.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.345 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HB2' ' OE2' ' A' ' 56' ' ' GLU . 12.5 ptm180 -90.63 151.5 21.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -103.86 163.75 12.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.404 0.621 . . . . 0.0 111.594 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -112.82 0.32 15.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.194 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -117.65 -35.07 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.248 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.86 23.41 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.322 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 57' ' ' ALA . 8.2 tt0 -144.14 -156.73 0.72 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . 68.4 163.41 0.13 Allowed Pre-proline 0 C--O 1.235 0.332 0 O-C-N 123.71 0.631 . . . . 0.0 110.653 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 10.3 Cg_endo -53.99 146.81 45.71 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.442 2.094 . . . . 0.0 112.349 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 114.22 0.96 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.513 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 64.06 93.07 0.06 OUTLIER Pre-proline 0 C--O 1.235 0.294 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.118 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 131.09 42.3 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.83 2.353 . . . . 0.0 111.549 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -77.22 45.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.568 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt 60.26 88.87 0.07 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.079 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.66 154.81 27.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.366 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -72.94 87.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.124 0.487 . . . . 0.0 109.936 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -98.57 90.77 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -83.49 55.25 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 110.542 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -139.97 91.33 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.27 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -129.34 116.98 19.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.52 175.34 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 109.9 22.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.34 -1.83 35.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -83.74 -47.22 11.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.959 -0.463 . . . . 0.0 110.273 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tt 71.51 -67.25 0.26 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.96 0.788 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.9 mt -146.27 131.61 18.56 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.91 -49.03 69.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.244 0.545 . . . . 0.0 109.657 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.24 132.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.39 176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.12 130.92 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' HD3' ' A' ' 15' ' ' LYS . 17.8 m -132.29 -170.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 -176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 53.7 t -75.71 137.23 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.514 -175.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.6 -36.04 97.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.733 2.288 . . . . 0.0 112.256 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.99 -77.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.367 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.735 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 59.4 m -86.51 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.301 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD3' HG23 ' A' ' 10' ' ' VAL . 27.1 mmtp -57.25 53.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.725 1.61 . . . . 0.0 112.577 177.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.85 -133.33 7.43 Favored Glycine 0 C--N 1.315 -0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -117.52 130.69 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.962 0.411 . . . . 0.0 110.596 -177.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -99.29 143.49 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.014 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 42.2 mt-10 -122.99 132.52 54.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.754 0.311 . . . . 0.0 110.512 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 25' ' ' ALA . 85.2 t80 -97.35 116.96 30.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -86.15 121.95 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.989 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 22' ' ' ARG . 51.7 mtt180 -67.74 142.54 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.125 0.488 . . . . 0.0 110.769 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.68 -45.21 0.57 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.394 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.02 -32.94 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . . . 62.09 36.08 15.46 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.615 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.06 140.08 50.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.807 0.337 . . . . 0.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 71.1 mt -93.85 107.91 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.7 t -84.27 111.19 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.522 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.7 t -86.61 109.61 19.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -80.51 8.93 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 111.113 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.13 -54.16 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.265 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.1 -17.05 41.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 61.91 43.93 8.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.077 -172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 52' ' ' SER . 70.7 mt -118.91 145.78 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.218 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.54 109.7 19.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.344 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.8 m-85 -88.82 113.07 54.36 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.171 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 8.8 Cg_exo -71.7 130.85 17.59 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.934 2.423 . . . . 0.0 112.43 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 51.5 t -97.27 113.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.546 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -90.83 84.65 5.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.211 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 51.63 70.1 0.59 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.176 176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.51 -31.37 4.89 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.277 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.69 107.11 47.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.841 0.321 . . . . 0.0 111.01 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 53.3 Cg_endo -70.68 125.41 11.64 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.429 2.086 . . . . 0.0 111.819 178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 mm -75.97 93.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.27 61.81 6.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.202 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.86 107.6 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.707 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.48 -31.92 69.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.847 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.61 0.83 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -129.03 15.84 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.12 0.486 . . . . 0.0 110.615 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.24 128.53 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.959 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 60' ' ' GLN . 30.3 ttp180 -68.99 122.29 18.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.235 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.449 ' HA ' HD23 ' A' ' 34' ' ' LEU . 30.3 t -88.99 152.24 21.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.906 0.86 . . . . 0.0 111.652 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.08 5.92 10.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.206 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.19 -24.21 18.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.265 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.62 21.08 3.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.734 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HG3' ' H ' ' A' ' 57' ' ' ALA . 5.2 tp10 62.16 -146.68 0.39 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' H ' ' HG3' ' A' ' 56' ' ' GLU . . . 62.34 94.12 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 112.186 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.98 79.86 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.562 2.175 . . . . 0.0 111.454 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.76 39.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.249 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 48.1 tt0 -123.09 82.03 51.23 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.68 90.14 1.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.291 2.66 . . . . 0.0 112.597 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.5 t -122.73 117.76 26.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.914 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -102.05 7.13 41.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.423 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -70.46 154.05 42.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.453 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -45.06 114.26 0.7 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.751 0.657 . . . . 0.0 112.075 -174.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -95.79 -178.92 4.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.037 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -168.59 174.15 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.49 -65.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.896 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t60 69.68 120.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.794 0.684 . . . . 0.0 111.377 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.943 178.321 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.506 0.193 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.06 50.23 6.78 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.872 0.733 . . . . 0.0 112.435 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -73.71 -38.72 64.74 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 54.16 79.84 0.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.565 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.69 171.12 9.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.03 100.07 10.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -82.88 66.83 8.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.196 0.522 . . . . 0.0 110.69 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.9 pt -96.94 -1.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.958 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 18' ' ' LEU . 94.2 mt 68.9 111.38 0.05 OUTLIER 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.555 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.66 154.87 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.716 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 40.4 t -65.69 129.26 94.29 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.084 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -62.85 -23.89 74.35 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.339 2.026 . . . . 0.0 111.825 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.7 t -82.52 -80.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.88 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.5 m -90.57 8.68 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mmtm 57.1 22.49 7.49 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.09 158.22 36.12 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.972 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -68.74 133.35 48.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 0.0 110.48 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 9' ' ' LEU . 95.6 mt -85.95 151.96 23.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.753 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 127.74 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HA ' HD23 ' A' ' 27' ' ' LEU . 67.3 t80 -81.18 84.09 6.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.936 -177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.9 mm-40 -69.64 147.48 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 111.352 -176.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -113.45 92.36 3.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.346 -174.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.24 -50.07 0.25 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 74.1 mt-30 -126.04 -50.01 1.57 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.949 172.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 147.59 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 125.007 1.442 . . . . 0.0 109.343 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 1.3 pm0 -145.56 144.84 30.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 20' ' ' PHE . 60.5 mt -98.31 107.52 20.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG22 ' HB2' ' A' ' 35' ' ' ALA . 63.7 t -96.18 129.76 45.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.151 0.5 . . . . 0.0 112.072 -172.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.6 m -86.03 132.6 34.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.4 -50.73 14.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.631 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.96 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 34' ' ' LEU . 7.0 m-20 -68.01 -25.78 65.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 33.4 mtm-85 56.27 43.04 27.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 110.209 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 32' ' ' ASP . 45.8 mt -114.3 128.24 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.478 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -105.06 110.57 23.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.743 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 89.7 m-85 -81.53 117.17 67.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.621 176.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 7.3 Cg_exo -72.67 125.46 10.59 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.028 2.485 . . . . 0.0 112.79 -173.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.0 t -88.59 95.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -83.19 87.48 6.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -173.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 48.25 64.99 1.44 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.222 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.88 -35.97 4.49 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.244 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.69 110.69 57.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 117.19 0.495 . . . . 0.0 111.186 -174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 7.0 Cg_exo -73.55 127.63 11.92 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.008 2.472 . . . . 0.0 112.073 176.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.79 101.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.2 mmm -87.23 19.04 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -174.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.08 117.06 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -30.69 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.656 -175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.99 -21.43 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.652 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -111.76 7.34 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.041 0.448 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.17 163.73 17.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.118 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -106.63 109.72 21.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -73.46 154.23 40.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.123 0.487 . . . . 0.0 110.765 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.0 mt -110.29 7.31 23.03 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.301 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.45 -44.62 3.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.591 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.1 -10.96 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.443 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.78 146.11 39.39 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -62.11 114.41 11.49 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -91.35 98.37 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 123.283 2.655 . . . . 0.0 112.876 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' C ' ' HD3' ' A' ' 61' ' ' PRO . . . -85.02 93.83 8.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -124.57 67.29 48.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 59' ' ' ALA . 96.1 Cg_endo -100.28 171.15 0.4 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.009 2.473 . . . . 0.0 112.029 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.4 m 63.76 81.63 0.2 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.074 0.464 . . . . 0.0 111.553 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.7 mt -104.45 104.85 14.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.239 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.541 ' OE2' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -100.64 162.9 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -177.052 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -107.72 20.07 19.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.479 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 67.11 -54.27 0.46 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.29 0.636 . . . . 0.0 110.621 -169.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -80.47 73.16 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 167.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -111.6 10.99 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.776 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -155.46 -43.17 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.557 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -83.24 101.48 11.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.002 0.43 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -165.41 90.97 0.5 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.439 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 3.7 mmp_? -116.79 -154.69 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.5 tt -75.46 68.29 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.296 0.569 . . . . 0.0 110.496 -177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD22 ' C ' ' A' ' 5' ' ' LEU . 3.2 mm? -130.64 -54.69 1.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.327 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -117.22 35.46 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.577 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.6 pt -84.34 0.14 5.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.819 0.342 . . . . 0.0 111.243 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.87 95.2 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 111.077 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.39 163.82 36.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.652 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 50.0 t -77.71 127.86 81.13 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 14.7 Cg_exo -69.68 -9.9 27.29 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.769 2.313 . . . . 0.0 112.686 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HB ' ' OD2' ' A' ' 32' ' ' ASP . 46.1 t -81.81 -72.85 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.182 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.9 m -106.22 9.99 31.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.659 -178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 33.6 mmtp 55.22 42.08 30.82 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.219 0.533 . . . . 0.0 111.602 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 29' ' ' CYS . . . -85.08 147.57 22.65 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.627 176.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -81.05 142.95 32.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 110.476 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 60.4 mt -98.43 155.7 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 32.9 mt-10 -118.62 133.16 56.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.826 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -92.58 110.82 22.25 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.39 165.85 11.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.353 0.597 . . . . 0.0 111.212 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -107.08 31.9 5.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.438 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.01 -79.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -100.15 11.6 38.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.032 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.79 54.3 3.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 109.09 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.79 149.96 27.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.66 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 67.9 mt -105.57 102.97 12.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 172.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 121.04 41.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 16' ' ' GLY . 53.4 t -92.82 119.3 32.01 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -82.11 2.7 30.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.392 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . . . -104.04 -53.87 2.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.474 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 13' ' ' VAL . 4.0 m-20 -78.48 -15.87 58.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 22.7 mtm180 62.61 34.32 15.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.141 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 52' ' ' SER . 31.2 mt -110.94 139.15 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.8 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.79 16.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.056 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 45' ' ' MET . 73.3 m-85 -95.48 110.96 53.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.747 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.67 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 8.2 Cg_exo -72.58 126.38 11.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.641 2.227 . . . . 0.0 111.829 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 60.7 t -80.58 109.96 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -96.12 76.09 3.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 51.89 75.97 0.19 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.81 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.11 -40.09 3.09 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.113 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 48.7 t -103.98 111.05 65.0 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 -177.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 2.8 Cg_exo -75.98 138.85 21.21 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.837 2.358 . . . . 0.0 111.778 177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.67 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 43.1 mm -76.93 91.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.145 0.498 . . . . 0.0 109.857 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 87.9 mmm -88.3 11.13 17.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.315 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -88.87 120.29 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.364 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.6 -29.41 67.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 111.087 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -21.97 66.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.928 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -113.36 -33.2 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.254 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.76 133.74 49.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.052 0.454 . . . . 0.0 110.384 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 51' ' ' ARG . 8.2 ttp180 -88.08 114.68 24.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.085 0.469 . . . . 0.0 110.135 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' HD23 ' A' ' 34' ' ' LEU . 26.5 t -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.478 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 82.8 mt -80.89 -16.96 52.2 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.126 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.46 -20.7 59.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.747 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.37 17.04 14.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.267 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 52' ' ' SER . 4.4 mm-40 -87.81 125.53 34.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.004 0.431 . . . . 0.0 110.83 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.79 151.46 91.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.312 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.67 175.46 7.12 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.338 2.025 . . . . 0.0 112.14 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.08 1.61 52.63 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.579 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.0 pt20 -84.39 154.77 62.99 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 60' ' ' GLN . 13.2 Cg_exo -71.4 166.59 28.86 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.859 2.373 . . . . 0.0 111.495 174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 p -79.16 137.41 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.48 -25.24 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.396 0.617 . . . . 0.0 110.388 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -99.0 93.7 6.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.432 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -90.97 77.76 6.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.74 0.781 . . . . 0.0 109.851 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -79.79 82.4 5.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.678 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -62.91 111.24 2.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.25 -174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -79.66 95.44 5.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.033 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -167.97 105.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.557 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.614 177.784 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.677 0.275 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -165.05 -36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.328 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -71.99 103.54 3.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -83.11 65.82 8.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.0 112.224 -170.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 61.44 18.89 9.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.568 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.81 -5.7 52.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.78 87.35 2.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.592 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 pt -79.8 -40.13 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -174.59 122.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.18 152.93 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 111.663 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 t -57.19 122.52 54.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.043 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.78 -0.72 8.8 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.06 2.507 . . . . 0.0 113.196 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.05 -67.55 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.3 m -100.87 6.06 43.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm 53.57 78.73 0.14 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.332 0.587 . . . . 0.0 110.929 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.35 167.8 24.86 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.985 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -74.38 140.67 44.92 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.387 0.275 . . . . 0.0 110.824 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.1 mt -108.93 157.46 18.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -116.45 110.86 19.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.909 0.385 . . . . 0.0 111.332 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -80.52 107.68 13.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.185 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -97.76 152.17 19.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.31 24.92 11.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.725 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.75 10.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -123.35 -56.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.203 168.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' GLN . . . 160.17 46.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.488 1.118 . . . . 0.0 110.146 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.48 150.9 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.482 0.658 . . . . 0.0 112.592 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 48.4 mt -98.25 102.65 14.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.794 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.55 132.95 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.101 0.477 . . . . 0.0 111.086 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 m -105.34 109.62 21.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.451 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -77.1 15.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.903 0.382 . . . . 0.0 111.963 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.87 -45.75 7.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.77 11.0 7.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 25.8 mtm180 61.37 40.78 13.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.324 0.583 . . . . 0.0 111.454 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.37 170.43 8.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LEU . . . -151.93 128.85 10.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 90.6 m-85 -93.77 109.78 43.45 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.091 177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 44' ' ' ILE . 6.2 Cg_exo -77.91 126.05 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.189 2.593 . . . . 0.0 112.203 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 41.7 t -91.22 95.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.998 0.428 . . . . 0.0 109.872 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 61.7 ttt180 -93.57 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.2 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 39' ' ' ARG . 3.0 m-20 65.7 10.83 7.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.66 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.01 34.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.886 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -105.72 110.83 64.58 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 15.1 Cg_exo -68.02 114.43 3.38 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.763 2.309 . . . . 0.0 111.459 177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 49.7 mm -73.12 100.64 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.283 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.2 mtp -92.48 11.14 27.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.461 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.54 119.88 20.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.788 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.48 -40.25 78.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.4 -21.11 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.022 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -116.36 13.53 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.24 151.3 29.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -88.92 106.1 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.389 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -86.88 152.26 22.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.423 0.63 . . . . 0.0 110.473 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 96.5 mt -87.19 -7.13 58.26 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.969 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.02 10.7 37.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.575 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.67 43.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.786 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -85.17 151.52 24.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.373 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.64 43.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.03 147.41 82.78 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.259 . . . . 0.0 111.999 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.94 -57.47 2.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 111.697 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -99.87 114.79 65.83 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -89.72 -160.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.226 2.617 . . . . 0.0 112.001 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -81.39 128.9 34.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.99 80.66 8.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.01 -44.83 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.654 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -85.99 63.07 7.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.274 0.559 . . . . 0.0 109.811 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -85.26 105.68 16.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.43 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.3 82.13 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.975 -1.012 . . . . 0.0 112.937 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -161.78 93.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 t60 66.72 103.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 124.019 0.824 . . . . 0.0 110.192 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.581 -177.725 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -88.42 90.07 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.224 0.535 . . . . 0.0 111.544 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -141.32 92.44 2.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -87.05 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.204 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.4 pt? -93.52 18.57 9.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 0.0 110.827 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.72 86.07 2.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.627 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.26 97.13 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.2 pt -103.04 138.46 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.513 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -138.14 135.14 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.061 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 m -134.28 154.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 15' ' ' LYS . 40.9 t -58.19 132.42 84.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.48 -28.08 71.77 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.787 2.325 . . . . 0.0 112.265 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.02 -83.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.434 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m -85.17 -3.32 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 11' ' ' CYS . 44.1 mmtm 57.23 25.42 11.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.396 0.278 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 31' ' ' ALA . . . -83.62 48.83 4.12 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 114.913 0.725 . . . . 0.0 114.913 -169.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 56.04 109.65 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 0.0 113.424 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 84.4 mt -85.28 144.81 27.87 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 9.2 tp10 -124.1 143.5 50.43 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.74 107.56 19.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.063 0.459 . . . . 0.0 111.07 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 102.15 3.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.151 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -80.22 77.79 6.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.327 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 179.31 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.369 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -94.06 -1.89 53.72 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.573 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.16 74.1 0.45 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.598 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.08 150.84 33.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.309 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' LEU . 89.7 mt -101.63 109.42 21.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.953 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 53' ' ' LEU . 61.0 t -85.03 121.53 37.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.79 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 52.5 t -86.19 123.42 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -78.71 -23.44 45.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.66 -173.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 16' ' ' GLY . . . -88.8 -48.72 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.753 0.311 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -78.62 -12.17 60.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.659 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 63.5 32.11 14.44 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.36 0.413 . . . . 0.0 110.488 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -115.45 160.98 19.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.021 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.56 111.33 13.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.062 177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 91.1 m-85 -95.06 108.37 37.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.311 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' PHE . 17.1 Cg_exo -66.61 140.42 56.74 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.898 2.399 . . . . 0.0 112.544 -175.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 57.3 t -93.59 118.95 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -92.75 75.46 4.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 48.95 80.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.972 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.43 -42.41 2.58 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.94 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.04 109.3 57.93 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.804 0.302 . . . . 0.0 110.91 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' VAL . 12.0 Cg_exo -70.32 118.82 5.91 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.816 2.344 . . . . 0.0 111.622 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -84.75 96.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.162 0.506 . . . . 0.0 109.799 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.1 mtm -92.49 23.41 4.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.97 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.59 138.08 31.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.198 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -20.16 62.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.471 0.653 . . . . 0.0 109.694 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.17 -27.38 62.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.818 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -117.99 9.0 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.571 -175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 159.88 14.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -112.23 170.13 8.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -117.27 158.74 23.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.491 0.662 . . . . 0.0 112.091 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 ' CG1' ' A' ' 28' ' ' VAL . 92.1 mt -90.14 -25.61 20.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.779 174.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.17 -17.83 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.315 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.57 55.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.234 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -96.4 14.73 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 110.043 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.14 140.55 21.26 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.585 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.09 127.28 22.68 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.627 2.218 . . . . 0.0 111.567 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 115.05 22.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.326 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -78.74 140.48 58.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.4 103.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.265 2.643 . . . . 0.0 112.973 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 m -130.46 86.1 2.35 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.5 mp -101.2 136.5 40.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -171.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -175.91 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 169.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -65.3 -51.35 61.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -173.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.41 -58.05 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.981 0.512 . . . . 0.0 111.824 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.01 142.58 38.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -140.32 119.41 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.353 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 70.19 152.44 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.684 0.615 . . . . 0.0 111.393 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.542 175.84 . . . . . . . . 0 0 . 1 stop_ save_