data_2gm2_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 2gm2 _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 ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' ND2' ' A' ' 25' ' ' ASN . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' ND2' HG11 ' A' ' 24' ' ' VAL . 31.1 m-80 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.543 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.726 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB3' HD21 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD22 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.501 HD13 ' HE2' ' A' ' 120' ' ' MET . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 118' ' ' LEU . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 15' ' ' ARG . 34.0 mtm180 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.838 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HA ' HG11 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.812 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 HD11 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD11 HD12 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG21 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' HD13 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.473 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD21 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.665 ' HB2' HG22 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.69 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.69 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.838 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.63 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.63 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' ASP . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 HD11 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.536 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HA ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.536 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.6 ' NE ' ' HA ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.613 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 105' ' ' THR . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.448 HG21 ' HE1' ' A' ' 97' ' ' MET . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB2' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.838 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.755 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.755 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.543 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.543 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HA ' HD13 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.504 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.452 HG22 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.782 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.467 ' HA ' HG21 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.474 HD23 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.474 ' HD2' HD23 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.981 0.419 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.616 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 12.3 mm100 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.424 ' HE3' HD22 ' A' ' 94' ' ' LEU . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.481 HG23 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.424 HD22 ' HE3' ' A' ' 57' ' ' MET . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.781 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.656 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.656 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 36' ' ' MET . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 120' ' ' MET . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.487 ' HE2' HD12 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.481 HD12 HG23 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' C ' ' HD3' ' A' ' 15' ' ' ARG . 3.7 tmt_? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.75 0.309 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.672 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.683 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' C ' HD21 ' A' ' 64' ' ' ASN . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.567 HD21 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD21 ' HE1' ' A' ' 97' ' ' MET . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.672 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE1' HD21 ' A' ' 69' ' ' LEU . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.615 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.655 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.655 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.907 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD12 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD12 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.463 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.907 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.553 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.353 0.597 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HD2' ' HB2' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 HD11 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.628 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 HD11 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.743 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.512 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.433 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HE3' ' A' ' 120' ' ' MET . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.444 HD21 ' C ' ' A' ' 107' ' ' ASN . 0.2 OUTLIER -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.628 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.497 HD11 ' HE2' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.497 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.621 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.621 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.429 HE21 HD21 ' A' ' 29' ' ' LEU . 22.5 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD21 HE21 ' A' ' 27' ' ' GLN . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' HG23 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD3' HG21 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.699 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 HD23 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' HG3' HD21 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' HD11 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.472 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 HD11 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.738 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.738 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' HB2' HD21 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.525 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.017 0.436 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD22 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.845 HG13 HE22 ' A' ' 51' ' ' GLN . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.845 HE22 HG13 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.532 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.532 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.48 HD23 HD22 ' A' ' 35' ' ' LEU . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.472 ' HE2' HD12 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HG2' ' HD1' ' A' ' 21' ' ' HIS . 24.9 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.795 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.795 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 25.8 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' CG ' ' HG ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.525 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.409 ' O ' ' HE3' ' A' ' 120' ' ' MET . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.594 ' HB2' HD11 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.491 ' HE2' HD12 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.661 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB1' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.61 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 40' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.796 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.962 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.962 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 22.4 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' HA ' HD11 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.402 HD21 HD12 ' A' ' 92' ' ' ILE . 3.4 t-20 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.49 ' HD2' HD11 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.563 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 4.6 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 54' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.496 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.529 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 69' ' ' LEU . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.796 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.738 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 121' ' ' ILE . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.618 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.626 ' HG2' HD12 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HB3' HD22 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB3' HG21 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HB2' HD21 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.401 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.591 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE3' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.402 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.537 0.208 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.633 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.545 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 m120 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG13 HG21 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.436 ' HA2' HG13 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.633 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.432 HG21 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.455 HD12 ' HE3' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.455 ' HE3' HD12 ' A' ' 118' ' ' LEU . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . . . . . . 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.829 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' HD2' ' OE2' ' A' ' 74' ' ' GLU . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.582 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.498 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD21 HG12 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.42 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD3' HG21 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.608 ' HG ' HD23 ' A' ' 94' ' ' LEU . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.475 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD23 ' HG ' ' A' ' 87' ' ' CYS . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.504 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG22 HG11 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.669 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.811 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.669 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.811 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.548 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.428 ' HG2' HG12 ' A' ' 83' ' ' VAL . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.489 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.489 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.478 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG12 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD22 HD21 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.46 HD12 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD21 HD22 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HB1' ' HE3' ' A' ' 120' ' ' MET . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB2' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.506 HD23 ' HE1' ' A' ' 120' ' ' MET . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.561 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.61 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 31' ' ' GLN . 8.5 mm100 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG13 HD12 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 HG12 ' HB1' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.506 HG23 HD23 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.454 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 HD12 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 48' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.294 0.568 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.786 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.557 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.786 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 HD22 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.453 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' C ' ' HG ' ' A' ' 48' ' ' SER . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.49 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 HD11 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.557 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' HE1' ' A' ' 97' ' ' MET . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.497 ' HE1' ' HB3' ' A' ' 95' ' ' GLU . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.481 HD23 HD22 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.554 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.498 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.457 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 HG23 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.466 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD21 HD22 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.457 HD22 ' CG1' ' A' ' 122' ' ' VAL . 6.6 m-20 -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.423 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 HD21 ' HD3' ' A' ' 114' ' ' ARG . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.473 ' HD3' HD21 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.65 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.21 118.13 5.26 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 110.786 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.32 11.65 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.714 0.293 . . . . 0.0 111.574 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -105.95 76.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 174.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HA ' ' HG3' ' A' ' 8' ' ' PRO . 25.6 mm-40 -137.78 -155.55 0.61 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.09 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.95 93.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.64 0.588 . . . . 0.0 110.806 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.509 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 33.2 p-80 42.59 58.67 10.94 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.598 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 3.4 Cg_exo -81.64 -14.4 10.24 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.179 1.919 . . . . 0.0 110.045 170.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t70 59.26 -150.56 0.43 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.07 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.31 132.8 48.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.474 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 m -69.17 113.14 6.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.023 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -69.71 140.71 53.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.066 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.63 139.31 52.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -84.57 118.27 24.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -86.73 -48.85 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.963 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.564 ' HB3' ' HA3' ' A' ' 124' ' ' GLY . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' ND2' ' A' ' 25' ' ' ASN . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' ND2' HG11 ' A' ' 24' ' ' VAL . 31.1 m-80 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.543 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.726 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' HB3' HD21 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD22 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.501 HD13 ' HE2' ' A' ' 120' ' ' MET . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 118' ' ' LEU . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.23 67.6 3.66 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.564 ' HA3' ' HB3' ' A' ' 20' ' ' ARG . . . -145.66 58.05 0.51 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.16 -20.67 26.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.768 0.318 . . . . 0.0 110.74 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.81 -176.42 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.43 0.633 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -133.15 -150.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.226 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -41.42 113.44 0.41 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -69.58 -69.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -164.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -144.64 -33.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.943 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -73.01 142.13 47.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.201 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.777 178.034 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.691 ' HA ' ' HA ' ' A' ' 6' ' ' GLU . 37.0 Cg_endo -66.98 -14.56 44.1 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.917 2.411 . . . . 0.0 113.314 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.87 45.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 0.0 110.453 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 177.3 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -159.27 110.53 2.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.4 175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.786 ' HG3' ' H ' ' A' ' 7' ' ' HIS . 6.2 pt-20 -54.56 -67.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.786 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 44.3 t-80 -173.37 123.59 0.43 Allowed Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.49 124.08 14.87 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.535 2.157 . . . . 0.0 111.471 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.03 140.03 34.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -109.23 14.77 23.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.738 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 p -115.15 -174.29 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.332 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -112.31 30.25 7.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.178 0.513 . . . . 0.0 109.878 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 25' ' ' ASN . . . 64.56 6.86 3.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.349 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD21 HD21 ' A' ' 35' ' ' LEU . 50.5 tp -76.52 76.1 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 109.615 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 15' ' ' ARG . 34.0 mtm180 -128.62 6.48 5.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.106 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.838 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HA ' HG11 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.812 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 HD11 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD11 HD12 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG21 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' HD13 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD21 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.665 ' HB2' HG22 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.69 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.69 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.838 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.63 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.63 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.66 40.31 2.48 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.93 -19.4 79.76 Favored Glycine 0 C--N 1.321 -0.296 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.769 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -3.72 55.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.57 0.224 . . . . 0.0 111.559 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.59 -10.3 59.41 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.288 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -75.22 -15.39 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.097 0.475 . . . . 0.0 109.76 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.6 m170 69.64 -85.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.072 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t60 63.59 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.825 0.45 . . . . 0.0 111.281 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 173.77 107.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -172.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -72.82 79.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.887 171.227 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.0 130.92 41.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.716 2.277 . . . . 0.0 111.761 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.48 -13.8 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.537 -172.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.03 24.36 6.4 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 57.61 -158.03 0.28 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.114 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 70.87 168.48 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.559 0.537 . . . . 0.0 110.467 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.542 ' HB2' ' HE1' ' A' ' 10' ' ' TYR . 4.5 m-70 -71.33 141.83 86.26 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.893 0.378 . . . . 0.0 111.591 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 5.8 Cg_exo -79.05 9.3 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.511 . . . . 0.0 111.511 174.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.64 -19.83 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.251 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' HE1' ' HB2' ' A' ' 7' ' ' HIS . 69.0 m-85 -82.19 -24.79 34.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.381 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -86.53 121.18 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 111.546 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -136.64 167.53 21.24 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 26.3 tp 57.84 27.04 13.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.199 0.523 . . . . 0.0 110.808 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -81.07 2.7 26.1 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 HH12 ' CG ' ' A' ' 126' ' ' GLU . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' ASP . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 HD11 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.536 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HA ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.536 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.6 ' NE ' ' HA ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.613 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 105' ' ' THR . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.448 HG21 ' HE1' ' A' ' 97' ' ' MET . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.8 91.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.09 -84.91 0.59 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.228 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.66 -173.47 2.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.476 ' CG ' HH12 ' A' ' 20' ' ' ARG . 45.0 mt-10 -129.22 175.03 9.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.561 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -67.28 146.63 53.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.938 0.399 . . . . 0.0 111.655 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -147.86 117.08 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -80.94 -31.55 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.321 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -76.19 130.64 38.54 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.042 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -85.84 138.76 31.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.428 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.667 177.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.9 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.432 2.088 . . . . 0.0 113.107 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.9 pt? -94.2 99.61 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 173.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -99.49 32.81 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.336 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 69.04 87.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.26 1.35 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.695 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.32 91.42 19.51 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -92.02 15.36 1.62 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.294 2.662 . . . . 0.0 112.893 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.88 -36.87 78.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -100.2 93.2 5.58 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.0 m -131.49 -49.51 0.98 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.523 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.68 76.59 9.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.51 -59.2 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.275 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.16 45.27 26.31 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.755 0.788 . . . . 0.0 109.035 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.66 -32.46 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.139 -170.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB2' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.605 ' HG3' ' HG2' ' A' ' 126' ' ' GLU . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.838 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.755 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.755 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.543 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.543 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HA ' HD13 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.504 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.452 HG22 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.782 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 ' HA ' HG21 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.459 ' HB2' HD22 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.474 HD23 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.474 ' HD2' HD23 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.02 179.55 18.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.76 -80.11 0.32 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.728 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.47 31.06 5.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.179 0.514 . . . . 0.0 110.511 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.605 ' HG2' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -110.48 3.81 19.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.605 -177.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -87.57 162.77 16.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -135.77 123.27 22.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.619 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -74.2 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.797 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.7 t60 63.1 98.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.704 0.627 . . . . 0.0 110.942 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -75.04 128.66 36.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.186 174.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.64 0.257 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.55 150.35 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.829 2.353 . . . . 0.0 111.953 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 6' ' ' GLU . 88.3 mt -96.94 -75.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.261 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.9 m120 70.62 -61.7 0.46 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.205 0.602 . . . . 0.0 111.341 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -83.71 41.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 109.808 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 9.9 pt-20 -88.33 23.71 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.921 -176.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.657 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 54.1 t60 -74.09 -50.36 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.178 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 3.0 Cg_exo -82.52 172.91 11.0 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.284 1.989 . . . . 0.0 111.646 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.19 175.73 10.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 111.251 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.32 83.99 1.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.485 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.563 HG21 ' H ' ' A' ' 12' ' ' TYR . 6.4 m 68.8 174.32 0.29 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.37 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' H ' HG21 ' A' ' 11' ' ' THR . 50.3 m-85 -139.21 105.37 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.68 -0.637 . . . . 0.0 110.807 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.69 142.25 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.675 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -82.27 119.38 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.022 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -81.63 -65.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.616 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 12.3 mm100 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.424 ' HE3' HD22 ' A' ' 94' ' ' LEU . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.481 HG23 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 HD22 ' HE3' ' A' ' 57' ' ' MET . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.781 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.656 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.656 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 36' ' ' MET . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 120' ' ' MET . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.487 ' HE2' HD12 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.481 HD12 HG23 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.39 177.16 46.88 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.51 109.77 3.82 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.651 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.21 -12.09 36.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.728 0.299 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 64.59 27.06 13.31 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.65 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -80.39 -9.25 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.121 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -105.59 129.17 53.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.158 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -54.73 112.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.663 0.602 . . . . 0.0 110.935 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -91.24 144.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.758 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.044 179.532 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -38.69 24.86 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.55 2.167 . . . . 0.0 111.576 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -124.68 -173.77 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.647 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.5 m120 64.49 24.87 13.19 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.395 0.435 . . . . 0.0 111.866 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.948 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -95.48 3.71 53.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -178.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -96.62 -31.42 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.3 m170 60.61 85.23 0.18 Allowed Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.285 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.03 115.37 3.25 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.762 2.308 . . . . 0.0 112.155 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -98.84 147.82 24.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.351 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.85 112.97 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -70.76 127.43 32.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.411 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.63 117.21 5.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.66 120.76 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD11 HG23 ' A' ' 24' ' ' VAL . 69.2 tp -70.41 128.54 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' C ' ' HD3' ' A' ' 15' ' ' ARG . 3.7 tmt_? -104.48 -58.09 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -176.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.672 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 14' ' ' LEU . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.683 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' C ' HD21 ' A' ' 64' ' ' ASN . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.567 HD21 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD21 ' HE1' ' A' ' 97' ' ' MET . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.672 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE1' HD21 ' A' ' 69' ' ' LEU . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.615 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.655 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.655 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.48 -176.09 47.79 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.05 135.16 1.76 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 mp -85.27 88.8 7.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.646 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.05 156.76 37.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.734 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -118.59 177.51 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.625 0.25 . . . . 0.0 110.96 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 t60 58.88 48.98 10.38 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.479 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -66.1 118.66 10.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.925 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 38.53 77.82 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.412 1.07 . . . . 0.0 112.632 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -63.57 119.29 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.476 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.298 177.315 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.725 ' H3 ' ' HD2' ' A' ' 2' ' ' PRO . 96.9 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 119.696 -0.193 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.725 ' HD2' ' H3 ' ' A' ' 1' ' ' MET . 47.5 Cg_endo -72.5 120.13 6.54 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 167.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.51 126.96 34.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.79 0.329 . . . . 0.0 110.835 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.65 155.89 21.78 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.93 110.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.047 0.451 . . . . 0.0 110.538 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -93.19 125.68 37.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.3 0.572 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 12.7 p80 -128.86 142.03 43.69 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.145 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 17.1 Cg_exo -67.37 77.43 0.48 Allowed 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.209 2.606 . . . . 0.0 113.057 -175.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 62.11 -92.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.269 177.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 p90 -156.22 167.68 29.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.495 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p -96.35 156.29 16.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.957 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -92.32 106.67 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.13 112.43 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.617 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -73.0 -51.01 19.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.228 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HB2' ' HA3' ' A' ' 124' ' ' GLY . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.907 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD12 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD12 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.463 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.907 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.553 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.13 89.44 0.23 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.467 ' HA3' ' HB2' ' A' ' 20' ' ' ARG . . . -124.97 44.24 1.29 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.059 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.72 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -84.22 3.09 36.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.07 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.41 -42.15 95.39 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -134.86 81.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.64 170.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.712 ' HB3' ' HA ' ' A' ' 125' ' ' LEU . 80.8 t60 -154.33 58.95 0.7 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.723 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 48.17 -111.38 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.692 -174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 62.29 19.03 10.71 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.282 0.563 . . . . 0.0 110.956 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -102.86 86.32 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.645 175.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.768 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.897 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . 2.3 Cg_endo -81.79 121.33 3.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.211 2.607 . . . . 0.0 112.535 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.01 -4.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.469 0.652 . . . . 0.0 109.788 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -141.95 92.53 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 57.81 -94.36 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.731 0.644 . . . . 0.0 109.544 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.897 ' HA ' ' HB3' ' A' ' 2' ' ' PRO . 44.7 mt-10 -137.21 126.69 25.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -142.58 82.79 12.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.984 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -99.37 110.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 123.33 2.686 . . . . 0.0 111.185 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.69 131.18 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.238 0.542 . . . . 0.0 109.861 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.16 80.66 3.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' A' ' 25' ' ' ASN . 11.9 p -114.6 -79.88 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.92 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 25' ' ' ASN . 44.1 m-85 -74.98 82.3 2.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.267 0.556 . . . . 0.0 111.318 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.52 168.46 24.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.126 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.42 90.9 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.458 . . . . 0.0 109.945 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -79.44 -18.13 52.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.955 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HD2' ' HB2' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 11' ' ' THR . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 HD11 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.628 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 HD11 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.743 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.512 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' HB2' HD22 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.433 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB3' ' HE3' ' A' ' 120' ' ' MET . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.444 HD21 ' C ' ' A' ' 107' ' ' ASN . 0.2 OUTLIER -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.628 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.497 HD11 ' HE2' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.497 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.91 84.84 0.88 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.47 -55.37 30.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.427 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.42 141.64 50.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -91.2 -82.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.696 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 50.59 56.41 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.402 0.439 . . . . 0.0 110.114 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.05 97.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.813 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.01 156.17 44.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.062 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -104.11 110.24 22.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 0.0 110.598 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.67 -10.84 50.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.423 176.496 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.557 0.217 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.6 155.81 40.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.746 2.297 . . . . 0.0 111.229 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 5' ' ' GLN . 86.6 mt -80.15 -24.68 40.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.757 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 71.76 -36.28 0.36 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.584 0.754 . . . . 0.0 112.06 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 3' ' ' LEU . 10.7 pt20 -70.16 1.63 4.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.767 0.427 . . . . 0.0 112.048 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.94 -54.94 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 110.724 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -128.8 85.68 59.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 111.134 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.74 168.97 22.63 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.186 2.591 . . . . 0.0 111.632 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 64.98 90.27 0.09 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.561 0.538 . . . . 0.0 110.984 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -83.81 139.2 32.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.718 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -130.06 143.98 51.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.153 0.501 . . . . 0.0 111.514 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 7.4 p90 -127.22 89.13 2.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.197 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.71 135.66 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.568 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.79 97.24 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.34 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -13.84 59.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 -177.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.621 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.621 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.541 ' ND2' ' HA ' ' A' ' 12' ' ' TYR . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.429 HE21 HD21 ' A' ' 29' ' ' LEU . 22.5 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD21 HE21 ' A' ' 27' ' ' GLN . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' HG23 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD3' HG21 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.699 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 HD23 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' HG3' HD21 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' HD11 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.472 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.67 -130.59 10.25 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.56 -67.29 0.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.824 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.2 tp -83.72 161.2 21.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.599 0.238 . . . . 0.0 110.422 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.65 147.23 18.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -91.82 151.54 20.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -78.91 78.71 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 67.32 -70.53 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.623 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.7 -86.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -169.88 15.57 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.953 0.406 . . . . 0.0 110.535 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.573 176.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.28 -22.06 34.82 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.652 2.235 . . . . 0.0 111.785 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.3 mt -126.06 -176.74 3.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.125 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.67 -176.54 6.27 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.61 117.02 8.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.296 0.569 . . . . 0.0 110.626 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 7' ' ' HIS . 9.8 tp10 -84.6 171.03 12.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.686 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 58.9 t-80 81.81 87.97 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.204 0 O-C-N 124.131 0.895 . . . . 0.0 111.871 175.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.44 114.99 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.165 1.91 . . . . 0.0 110.578 168.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.3 145.87 36.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.234 0.54 . . . . 0.0 112.014 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -85.69 5.97 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.606 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -68.37 125.05 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.19 111.64 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.498 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.8 106.19 10.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.378 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.09 110.88 22.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.834 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -115.88 -53.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.872 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 HD11 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.738 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.738 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' HB2' HD21 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.525 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.88 131.06 50.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.87 138.8 42.3 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.873 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.71 -35.7 75.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 110.736 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.15 143.23 52.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.563 0.697 . . . . 0.0 111.292 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -150.07 -36.09 0.16 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.62 -162.97 0.2 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.311 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -113.52 -64.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.17 89.55 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -75.08 -22.37 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.66 172.254 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 85.0 mtp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -75.38 45.08 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.294 2.663 . . . . 0.0 112.642 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.65 99.2 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -100.13 -43.56 6.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.824 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -86.29 124.49 32.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.972 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -63.94 143.53 57.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.402 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -63.46 123.2 80.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.754 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.86 119.57 1.19 Allowed 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.81 3.006 . . . . 0.0 113.525 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.69 103.71 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.58 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -152.35 118.18 5.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 m -58.92 109.25 0.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.499 . . . . 0.0 110.994 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -74.78 108.41 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.998 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.692 ' HA ' ' HE2' ' A' ' 106' ' ' TYR . . . -127.94 22.5 6.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.013 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? 68.36 175.66 0.27 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.834 -176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -164.66 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD22 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.845 HG13 HE22 ' A' ' 51' ' ' GLN . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.845 HE22 HG13 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.692 ' HE2' ' HA ' ' A' ' 13' ' ' ALA . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.532 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.532 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.453 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.48 HD23 HD22 ' A' ' 35' ' ' LEU . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.472 ' HE2' HD12 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.7 74.0 1.0 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.43 48.77 0.16 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.28 97.6 10.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.842 0.353 . . . . 0.0 111.381 -173.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.17 106.73 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 172.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -134.97 124.86 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.2 t60 56.5 45.91 21.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.493 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -84.05 98.74 10.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -106.67 -26.08 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.484 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -98.62 125.84 44.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.012 179.469 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.6 Cg_endo -84.74 101.2 0.78 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.706 2.271 . . . . 0.0 111.941 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp -83.05 71.84 10.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -96.32 -57.42 2.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.921 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -96.55 114.21 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.0 147.93 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 62.3 88.2 0.12 Allowed Pre-proline 0 N--CA 1.464 0.256 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.59 -167.64 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.704 2.269 . . . . 0.0 113.087 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -92.46 167.39 12.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.887 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 12' ' ' TYR . 49.5 t80 -64.29 -22.72 67.05 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.086 0.241 . . . . 0.0 110.59 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.5 p 67.68 -41.11 0.42 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.265 1.426 . . . . 0.0 113.384 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 95.6 m-85 -79.66 79.76 6.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.39 125.78 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.747 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -87.03 101.61 13.61 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 -78.69 -32.84 47.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.572 -168.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HG2' ' HD1' ' A' ' 21' ' ' HIS . 24.9 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.795 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.795 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 25.8 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' CG ' ' HG ' ' A' ' 80' ' ' SER . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.525 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.409 ' O ' ' HE3' ' A' ' 120' ' ' MET . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.594 ' HB2' HD11 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.491 ' HE2' HD12 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.69 -85.42 0.54 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.78 -110.59 0.67 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.96 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.39 149.1 49.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.703 0.287 . . . . 0.0 110.264 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 1.8 tm-20 -134.94 147.58 49.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 126' ' ' GLU . 2.4 m80 72.59 111.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.797 0.686 . . . . 0.0 111.659 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -69.6 94.76 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.569 0.699 . . . . 0.0 109.235 172.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -149.91 143.52 25.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.894 -172.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.7 t60 74.01 -37.79 0.38 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.669 0.788 . . . . 0.0 112.465 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.6 m170 67.89 -173.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.146 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 22.9 mmt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 11.9 Cg_exo -69.87 104.02 1.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.646 2.231 . . . . 0.0 112.556 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.78 110.15 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -114.25 -80.67 0.6 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.36 -83.2 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.661 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.05 59.91 4.13 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.698 0.624 . . . . 0.0 110.332 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.609 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 44.5 t-80 -72.53 -50.78 7.73 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.97 -175.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 20.6 Cg_exo -66.13 110.76 1.83 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.982 1.788 . . . . 0.0 111.852 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.39 -19.75 20.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -83.54 97.38 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.379 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 m -100.72 130.32 46.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.265 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.8 136.11 38.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.43 131.91 22.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.17 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 17' ' ' ALA . 56.2 tp -75.46 98.32 3.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -87.92 -32.11 19.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.02 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB1' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 14' ' ' LEU . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.61 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 14' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.796 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.962 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.962 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 22.4 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' HA ' HD11 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.402 HD21 HD12 ' A' ' 92' ' ' ILE . 3.4 t-20 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.49 ' HD2' HD11 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.563 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 4.6 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 54' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.496 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.529 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 69' ' ' LEU . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.796 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.738 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.7 -127.05 7.17 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 124.15 109.05 1.84 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.881 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.55 120.22 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 70.12 137.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.035 0.835 . . . . 0.0 111.171 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -141.68 -21.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.008 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -123.56 -45.58 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.178 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.17 30.24 0.7 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.904 -173.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.68 33.24 2.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 110.229 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -109.12 99.97 9.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.358 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.21 175.782 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.562 0.22 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.81 -176.08 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.678 2.252 . . . . 0.0 111.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.98 57.54 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.909 0.385 . . . . 0.0 110.405 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 62.87 -83.38 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.211 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 58.93 68.38 0.82 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.445 0.641 . . . . 0.0 109.945 -173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 46.4 mt-10 -127.59 -164.69 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.124 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 62.8 m-70 74.0 129.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.817 0.698 . . . . 0.0 110.582 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 13.8 Cg_exo -68.04 123.48 10.69 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.041 2.494 . . . . 0.0 112.78 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -107.68 119.63 39.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -90.91 83.52 5.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.983 0.897 . . . . 0.0 110.746 -175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -91.34 4.21 52.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.275 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -98.36 106.11 18.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.77 152.81 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.208 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 103' ' ' ALA . 3.8 mm? -65.65 -44.12 87.33 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.336 0.397 . . . . 0.0 110.575 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 67.52 -67.56 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 124.01 0.819 . . . . 0.0 112.045 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 121' ' ' ILE . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.618 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.626 ' HG2' HD12 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HB3' HD22 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.548 ' HB3' HG21 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HB2' HD21 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.401 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.591 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.537 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE3' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.402 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.48 -138.93 11.49 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 66.01 14.57 61.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.86 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -64.89 -24.01 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -101.05 1.64 39.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.291 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.95 -39.84 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -87.44 98.63 11.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -63.44 119.21 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -62.78 -52.37 63.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.26 -172.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -142.68 -37.27 0.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--O 1.242 0.7 0 CA-C-O 118.711 -0.662 . . . . 0.0 109.82 178.015 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 26.8 ttt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 16.1 Cg_exo -67.81 72.97 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.074 2.516 . . . . 0.0 112.628 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt 64.53 -178.75 0.17 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.751 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -157.76 154.26 27.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -149.92 134.33 17.38 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.496 -174.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.67 135.54 46.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.034 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.439 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER 66.87 64.42 0.77 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.061 0.851 . . . . 0.0 112.094 -177.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 86.4 Cg_endo -98.19 30.19 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.501 2.801 . . . . 0.0 111.396 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.08 104.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.683 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -110.24 148.38 31.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 p -75.68 104.42 6.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.71 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.439 ' HE2' ' HE2' ' A' ' 106' ' ' TYR . 28.2 p90 -69.32 128.31 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.78 -60.78 1.57 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.478 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.5 tp 55.96 75.03 0.36 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.641 0.588 . . . . 0.0 109.975 -174.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -112.41 4.79 17.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.475 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.633 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.545 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 m120 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.455 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG13 HG21 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.436 ' HA2' HG13 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.633 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.439 ' HE2' ' HE2' ' A' ' 12' ' ' TYR . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.432 HG21 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.455 HD12 ' HE3' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.455 ' HE3' HD12 ' A' ' 118' ' ' LEU . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . 98.55 -100.02 2.26 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.41 -56.42 4.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.051 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.64 141.07 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.606 0.762 . . . . 0.0 111.77 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' CD ' ' HD1' ' A' ' 128' ' ' HIS . 2.4 mm-40 -66.94 150.02 49.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.745 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -134.63 -1.1 2.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.523 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.422 ' HD1' ' CD ' ' A' ' 126' ' ' GLU . 61.7 m80 -69.28 148.62 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.213 -0.305 . . . . 0.0 110.2 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -84.46 88.48 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.895 0.855 . . . . 0.0 112.254 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -122.15 139.34 53.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -60.29 113.95 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 0.0 111.405 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.8 m170 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.546 176.84 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.919 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 119.731 -0.176 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_endo -87.34 102.18 0.53 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.171 1.914 . . . . 0.0 111.774 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.89 7.05 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 110.972 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -126.11 171.34 10.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.974 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.81 75.27 4.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.549 . . . . 0.0 109.926 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.08 141.3 28.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.096 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.78 117.16 65.54 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.662 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.96 -49.29 11.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.425 2.084 . . . . 0.0 110.857 173.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -95.71 120.52 36.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.955 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -87.03 112.82 22.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -88.68 147.17 24.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.951 0.405 . . . . 0.0 110.07 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -142.68 134.79 27.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.52 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.83 77.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.46 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 tp 70.27 151.47 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.88 0.738 . . . . 0.0 110.96 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -89.41 -57.73 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.829 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' NH2' ' HA2' ' A' ' 124' ' ' GLY . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.582 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD21 HG12 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD3' HG21 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG21 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.608 ' HG ' HD23 ' A' ' 94' ' ' LEU . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.475 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD23 ' HG ' ' A' ' 87' ' ' CYS . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.504 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG22 HG11 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.74 -147.54 19.19 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.574 ' HA2' ' NH2' ' A' ' 20' ' ' ARG . . . 108.16 23.4 6.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.573 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.7 mt -116.61 -7.82 11.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.712 0.292 . . . . 0.0 110.941 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.7 72.89 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.694 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -86.75 88.27 7.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -104.29 89.25 3.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 67.6 138.73 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.135 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -87.51 61.66 6.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 170.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.77 35.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.779 -176.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.043 -179.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.52 -68.2 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.344 2.03 . . . . 0.0 111.917 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 54.36 68.75 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -108.42 89.39 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -93.86 -13.68 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.17 142.87 15.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.518 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -70.41 113.12 15.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 111.671 -170.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -95.38 -149.97 0.03 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.619 2.88 . . . . 0.0 112.052 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.7 145.0 43.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -92.62 70.76 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -67.55 -49.31 63.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.012 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.68 94.92 5.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.73 148.69 36.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.46 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.0 94.31 5.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.088 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.669 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -95.88 8.95 42.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.811 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.669 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.811 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.428 ' HG2' HG12 ' A' ' 83' ' ' VAL . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.489 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.478 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG12 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD22 HD21 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.46 HD12 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD21 HD22 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HB1' ' HE3' ' A' ' 120' ' ' MET . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB2' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.506 HD23 ' HE1' ' A' ' 120' ' ' MET . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.561 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.65 29.34 63.98 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.72 56.49 4.51 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.412 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.6 mt -129.67 96.51 4.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.894 0.378 . . . . 0.0 111.052 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.02 126.02 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.328 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.8 73.52 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.391 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 m80 53.21 -103.29 0.16 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.577 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -97.08 -60.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -163.66 140.52 7.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.23 0.612 . . . . 0.0 109.401 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -151.82 -49.72 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.519 0.512 . . . . 0.0 110.066 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.905 -179.153 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.76 115.82 3.78 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.758 2.306 . . . . 0.0 111.543 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.77 75.52 10.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.381 0.61 . . . . 0.0 112.001 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -141.25 17.29 2.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.577 1.179 . . . . 0.0 107.852 168.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -158.63 102.8 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.742 -1.572 . . . . 0.0 108.257 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -66.35 0.59 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 -175.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -144.64 108.46 4.77 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.72 170.17 18.37 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.725 2.283 . . . . 0.0 111.001 172.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.86 100.02 5.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.055 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 63.35 105.81 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.527 0.679 . . . . 0.0 112.296 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -70.31 131.89 44.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 41.4 m-85 -71.81 85.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.64 151.72 31.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.101 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 103' ' ' ALA . 45.3 tp -67.92 141.77 56.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.786 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.02 -56.8 2.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.61 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 31' ' ' GLN . 8.5 mm100 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 HD12 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG13 HD12 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 HG12 ' HB1' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.506 HG23 HD23 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.454 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HB3' HD21 ' A' ' 14' ' ' LEU . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 HD12 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 48' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 -156.42 26.68 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.39 -62.55 0.23 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt 61.56 94.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.252 0.621 . . . . 0.0 112.03 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -116.93 20.22 13.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.366 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 19.6 p80 -69.82 -4.05 18.39 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.835 -175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.58 -27.52 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 169.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -134.03 80.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.82 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 127' ' ' HIS . 53.4 t-80 -131.15 109.75 10.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -96.41 158.84 15.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.295 -0.86 . . . . 0.0 109.379 178.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.23 116.36 3.99 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.287 1.991 . . . . 0.0 111.415 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.81 93.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.139 0.495 . . . . 0.0 111.039 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -130.51 103.3 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.881 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.713 ' HG2' ' H ' ' A' ' 6' ' ' GLU . 31.9 tt0 -173.46 -173.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.713 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 1.6 mp0 -58.69 98.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.634 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 42.5 t-80 -66.5 -52.94 32.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.033 -174.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 29.5 Cg_exo -62.3 -60.84 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.763 1.642 . . . . 0.0 112.222 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -167.96 141.56 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.881 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -83.86 139.26 32.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.882 0.372 . . . . 0.0 110.231 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.63 HG21 ' H ' ' A' ' 13' ' ' ALA . 8.4 m -116.28 135.46 53.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.961 0.41 . . . . 0.0 111.554 -173.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -76.16 -10.86 59.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.48 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' H ' HG21 ' A' ' 11' ' ' THR . . . -71.69 109.81 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.319 -175.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp 62.76 79.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.483 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -89.4 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.857 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.786 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.557 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.786 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 HD22 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.453 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' C ' ' HG ' ' A' ' 48' ' ' SER . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.49 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.595 HG22 HD11 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.557 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' HE1' ' A' ' 97' ' ' MET . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.497 ' HE1' ' HB3' ' A' ' 95' ' ' GLU . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.481 HD23 HD22 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.78 70.29 3.21 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.75 131.41 11.95 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -79.15 97.36 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.852 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 127' ' ' HIS . 7.9 tp10 -73.91 143.93 45.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.563 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 126' ' ' GLU . 93.0 m-70 63.0 72.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.02 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -93.29 158.8 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.458 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -80.69 137.6 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -171.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -81.79 -14.69 56.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.3 0.571 . . . . 0.0 109.528 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -116.62 98.55 6.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.42 -175.702 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 67.1 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -74.27 81.67 1.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.878 2.385 . . . . 0.0 111.393 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.99 104.32 14.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.767 -176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -84.09 -32.84 24.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.044 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -80.94 84.75 6.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.6 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.242 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -114.17 137.15 22.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.44 -81.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.596 2.198 . . . . 0.0 112.537 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.26 109.34 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.291 . . . . 0.0 110.401 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -119.82 86.2 2.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.271 0.557 . . . . 0.0 109.725 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -148.87 115.37 5.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.508 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.31 108.65 5.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.409 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' HB3' ' H ' ' A' ' 25' ' ' ASN . . . -87.3 -98.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.912 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 tp 66.75 -14.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.351 0.66 . . . . 0.0 112.223 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 13' ' ' ALA . 35.7 mtm180 -79.82 -5.0 54.58 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.648 0.379 . . . . 0.0 111.802 -175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.634 ' H ' ' HB3' ' A' ' 13' ' ' ALA . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.554 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.457 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 HG23 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.466 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD21 HD22 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.457 HD22 ' CG1' ' A' ' 122' ' ' VAL . 6.6 m-20 -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 HD21 ' HD3' ' A' ' 114' ' ' ARG . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.473 ' HD3' HD21 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.65 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.48 -22.99 76.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.84 -87.06 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.837 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.81 153.4 33.05 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -9.22 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.883 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -78.04 83.49 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.19 0.519 . . . . 0.0 111.082 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.06 1.21 47.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -158.18 154.11 26.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.496 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.29 149.75 35.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -85.98 127.34 34.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 0.0 110.632 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.257 177.265 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 99' ' ' ASN . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 m120 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HG3' ' HD2' ' A' ' 54' ' ' PRO . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 53' ' ' GLN . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 HD13 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 90' ' ' ARG . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.505 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.473 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' SER . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.473 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 15' ' ' ARG . 34.0 mtm180 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' HG13 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 77' ' ' GLN . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' H ' HG21 ' A' ' 72' ' ' THR . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HG23 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.651 ' HG ' HD23 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.717 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.717 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.651 HD23 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.851 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.65 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.65 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 15' ' ' ARG . 12.9 ptm180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.607 ' HA ' ' NE ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.623 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 118' ' ' LEU . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.406 HD11 ' HB1' ' A' ' 102' ' ' ALA . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.754 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.754 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 33' ' ' PHE . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.614 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HG ' HG23 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.796 ' HB3' HD11 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.425 HG22 HG22 ' A' ' 68' ' ' ILE . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD2' HD22 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.981 0.419 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.649 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.481 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 70.7 mm-40 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' A' ' 74' ' ' GLU . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.796 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.421 HD13 HG11 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.677 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.677 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.473 ' HE2' HD11 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.476 ' C ' ' HD3' ' A' ' 15' ' ' ARG . 3.7 tmt_? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.75 0.309 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.704 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 34' ' ' ILE . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' A' ' 116' ' ' VAL . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.712 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 83' ' ' VAL . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.633 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.671 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.671 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' HA ' HG11 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 4.9 pm0 -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.534 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.922 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.534 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.922 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.578 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.353 0.597 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.77 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.652 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' SER . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.439 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.77 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.604 ' HB2' HG21 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.509 HD13 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.456 ' HB2' HD23 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.436 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.561 ' HE1' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.439 HG12 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.63 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.63 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.4 m80 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD23 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HG21 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD3' HG22 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.716 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.428 HG21 HD22 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HG3' HD23 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.621 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.421 HG12 ' OG ' ' A' ' 32' ' ' SER . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HA ' HG11 ' A' ' 122' ' ' VAL . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.51 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 109' ' ' LEU . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.534 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.754 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.754 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' HD23 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.476 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.534 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 69' ' ' LEU . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 30' ' ' GLN . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.017 0.436 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.518 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.563 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD11 ' HE2' ' A' ' 120' ' ' MET . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.496 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.826 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 89.7 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB3' HG23 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.607 ' HB2' HD13 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.607 HD13 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.517 ' HE2' HD21 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.661 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.653 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 40' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.817 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 51' ' ' GLN . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.994 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 75.0 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.8 t30 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 HD12 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.561 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 30.0 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 79' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.489 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.544 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 67' ' ' VAL . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.817 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.561 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.561 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' MET . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.629 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.419 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.629 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.657 ' HG2' HD11 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD12 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB3' HG23 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' HD23 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.618 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.411 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.537 0.208 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 118' ' ' LEU . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.444 HG13 HG23 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 77' ' ' GLN . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.654 ' HB3' HD11 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 80' ' ' SER . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.64 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 32' ' ' SER . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . . . . . . 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.521 ' HD2' ' OE2' ' A' ' 74' ' ' GLU . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG11 HD22 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.614 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.507 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.624 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.678 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.678 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.822 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.553 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.475 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.589 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.529 ' HD2' HD13 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.529 HD13 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.465 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 35' ' ' LEU . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.641 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.453 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HG22 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HA ' ' HB3' ' A' ' 57' ' ' MET . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.579 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.534 HG22 HD21 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.458 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.442 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.294 0.568 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.569 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.798 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 122' ' ' VAL . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.58 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.603 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 HD12 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.446 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' HD23 ' A' ' 69' ' ' LEU . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.483 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.596 HD12 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 30' ' ' GLN . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 15' ' ' ARG . 35.7 mtm180 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.421 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 69' ' ' LEU . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HD3' HD22 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.676 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.21 118.13 5.26 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 110.786 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.32 11.65 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.714 0.293 . . . . 0.0 111.574 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -105.95 76.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 174.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HA ' ' HG3' ' A' ' 8' ' ' PRO . 25.6 mm-40 -137.78 -155.55 0.61 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.09 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' A' ' 5' ' ' GLN . 33.4 mt-10 65.95 93.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.64 0.588 . . . . 0.0 110.806 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 33.2 p-80 42.59 58.67 10.94 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.598 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 3.4 Cg_exo -81.64 -14.4 10.24 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.179 1.919 . . . . 0.0 110.045 170.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t70 59.26 -150.56 0.43 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.07 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.31 132.8 48.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.474 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 m -69.17 113.14 6.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.023 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.418 ' HB3' HD21 ' A' ' 25' ' ' ASN . 96.1 m-85 -69.71 140.71 53.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.066 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.63 139.31 52.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -84.57 118.27 24.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -86.73 -48.85 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.963 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 99' ' ' ASN . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.588 ' HB3' ' HA3' ' A' ' 124' ' ' GLY . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG12 ' ND2' ' A' ' 25' ' ' ASN . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' ND2' HG12 ' A' ' 24' ' ' VAL . 31.1 m-80 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HG3' ' HD2' ' A' ' 54' ' ' PRO . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 53' ' ' GLN . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 HD13 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 90' ' ' ARG . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.473 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' SER . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.473 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.23 67.6 3.66 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.588 ' HA3' ' HB3' ' A' ' 20' ' ' ARG . . . -145.66 58.05 0.51 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.16 -20.67 26.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.768 0.318 . . . . 0.0 110.74 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.81 -176.42 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.43 0.633 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -133.15 -150.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.226 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -41.42 113.44 0.41 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -69.58 -69.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -164.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -144.64 -33.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.943 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -73.01 142.13 47.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.201 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.777 178.034 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.626 ' HA ' ' HA ' ' A' ' 6' ' ' GLU . 37.0 Cg_endo -66.98 -14.56 44.1 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.917 2.411 . . . . 0.0 113.314 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.87 45.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 0.0 110.453 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 177.3 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -159.27 110.53 2.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.4 175.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.775 ' HG3' ' H ' ' A' ' 7' ' ' HIS . 6.2 pt-20 -54.56 -67.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.775 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 44.3 t-80 -173.37 123.59 0.43 Allowed Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.49 124.08 14.87 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.535 2.157 . . . . 0.0 111.471 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.03 140.03 34.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -109.23 14.77 23.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.738 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 p -115.15 -174.29 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.332 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -112.31 30.25 7.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.178 0.513 . . . . 0.0 109.878 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 25' ' ' ASN . . . 64.56 6.86 3.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.349 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 35' ' ' LEU . 50.5 tp -76.52 76.1 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 109.615 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 15' ' ' ARG . 34.0 mtm180 -128.62 6.48 5.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.106 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' HG13 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 77' ' ' GLN . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' H ' HG21 ' A' ' 72' ' ' THR . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HG23 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.651 ' HG ' HD23 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.717 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.717 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.651 HD23 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.851 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.65 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.65 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.66 40.31 2.48 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.93 -19.4 79.76 Favored Glycine 0 C--N 1.321 -0.296 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.769 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -3.72 55.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.57 0.224 . . . . 0.0 111.559 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.59 -10.3 59.41 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.288 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -75.22 -15.39 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.097 0.475 . . . . 0.0 109.76 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.6 m170 69.64 -85.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.072 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t60 63.59 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.825 0.45 . . . . 0.0 111.281 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 173.77 107.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -172.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -72.82 79.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.887 171.227 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.0 130.92 41.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.716 2.277 . . . . 0.0 111.761 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.48 -13.8 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.537 -172.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.03 24.36 6.4 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 57.61 -158.03 0.28 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.114 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 70.87 168.48 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.559 0.537 . . . . 0.0 110.467 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' HB2' ' HE1' ' A' ' 10' ' ' TYR . 4.5 m-70 -71.33 141.83 86.26 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.893 0.378 . . . . 0.0 111.591 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 5.8 Cg_exo -79.05 9.3 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.511 . . . . 0.0 111.511 174.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.64 -19.83 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.251 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HE1' ' HB2' ' A' ' 7' ' ' HIS . 69.0 m-85 -82.19 -24.79 34.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.381 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -86.53 121.18 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 111.546 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -136.64 167.53 21.24 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 26.3 tp 57.84 27.04 13.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.199 0.523 . . . . 0.0 110.808 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 15' ' ' ARG . 12.9 ptm180 -81.07 2.7 26.1 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.494 HH12 ' CG ' ' A' ' 126' ' ' GLU . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.607 ' HA ' ' NE ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.623 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 118' ' ' LEU . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.406 HD11 ' HB1' ' A' ' 102' ' ' ALA . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.8 91.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.09 -84.91 0.59 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.228 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.66 -173.47 2.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.494 ' CG ' HH12 ' A' ' 20' ' ' ARG . 45.0 mt-10 -129.22 175.03 9.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.561 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -67.28 146.63 53.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.938 0.399 . . . . 0.0 111.655 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -147.86 117.08 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -80.94 -31.55 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.321 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -76.19 130.64 38.54 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.042 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -85.84 138.76 31.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.428 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.667 177.153 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.9 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.432 2.088 . . . . 0.0 113.107 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.9 pt? -94.2 99.61 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 173.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -99.49 32.81 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.336 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 69.04 87.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.26 1.35 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.695 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.32 91.42 19.51 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -92.02 15.36 1.62 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.294 2.662 . . . . 0.0 112.893 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.88 -36.87 78.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -100.2 93.2 5.58 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.0 m -131.49 -49.51 0.98 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.523 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.68 76.59 9.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.51 -59.2 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.275 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.16 45.27 26.31 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.755 0.788 . . . . 0.0 109.035 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.66 -32.46 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.139 -170.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' HG2' ' A' ' 126' ' ' GLU . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.754 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.754 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 33' ' ' PHE . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.614 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HG ' HG23 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.796 ' HB3' HD11 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.425 HG22 HG22 ' A' ' 68' ' ' ILE . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD2' HD22 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.02 179.55 18.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.76 -80.11 0.32 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.728 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.47 31.06 5.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.179 0.514 . . . . 0.0 110.511 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.593 ' HG2' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -110.48 3.81 19.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.605 -177.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -87.57 162.77 16.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -135.77 123.27 22.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.619 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -74.2 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.797 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.7 t60 63.1 98.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.704 0.627 . . . . 0.0 110.942 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -75.04 128.66 36.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.186 174.403 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.64 0.257 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.55 150.35 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.829 2.353 . . . . 0.0 111.953 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 6' ' ' GLU . 88.3 mt -96.94 -75.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.261 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 70.62 -61.7 0.46 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.205 0.602 . . . . 0.0 111.341 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -83.71 41.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 109.808 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 9.9 pt-20 -88.33 23.71 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.921 -176.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 54.1 t60 -74.09 -50.36 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.178 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 3.0 Cg_exo -82.52 172.91 11.0 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.284 1.989 . . . . 0.0 111.646 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.19 175.73 10.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 111.251 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.32 83.99 1.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.485 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.551 HG22 ' H ' ' A' ' 12' ' ' TYR . 6.4 m 68.8 174.32 0.29 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.37 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' H ' HG22 ' A' ' 11' ' ' THR . 50.3 m-85 -139.21 105.37 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.68 -0.637 . . . . 0.0 110.807 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.69 142.25 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.675 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -82.27 119.38 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.022 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -81.63 -65.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.649 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.481 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 70.7 mm-40 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' A' ' 74' ' ' GLU . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.796 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.421 HD13 HG11 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.677 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.677 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.473 ' HE2' HD11 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.39 177.16 46.88 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.51 109.77 3.82 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.651 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.21 -12.09 36.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.728 0.299 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 64.59 27.06 13.31 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.65 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -80.39 -9.25 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.121 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -105.59 129.17 53.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.158 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -54.73 112.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.663 0.602 . . . . 0.0 110.935 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -91.24 144.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.758 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.044 179.532 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -38.69 24.86 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.55 2.167 . . . . 0.0 111.576 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -124.68 -173.77 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.647 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.5 m120 64.49 24.87 13.19 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.395 0.435 . . . . 0.0 111.866 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.999 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -95.48 3.71 53.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -178.375 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -96.62 -31.42 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.227 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.3 m170 60.61 85.23 0.18 Allowed Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.285 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.03 115.37 3.25 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.762 2.308 . . . . 0.0 112.155 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -98.84 147.82 24.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.351 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.85 112.97 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -70.76 127.43 32.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.411 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.63 117.21 5.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.66 120.76 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 HG22 ' A' ' 24' ' ' VAL . 69.2 tp -70.41 128.54 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 3.7 tmt_? -104.48 -58.09 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.422 HG22 HD13 ' A' ' 14' ' ' LEU . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.704 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 34' ' ' ILE . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' A' ' 116' ' ' VAL . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.712 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 83' ' ' VAL . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.633 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.671 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.671 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.48 -176.09 47.79 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.05 135.16 1.76 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 mp -85.27 88.8 7.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.646 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.05 156.76 37.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.734 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -118.59 177.51 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.625 0.25 . . . . 0.0 110.96 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 t60 58.88 48.98 10.38 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.479 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -66.1 118.66 10.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.925 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 38.53 77.82 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.412 1.07 . . . . 0.0 112.632 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -63.57 119.29 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.476 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.298 177.315 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 119.696 -0.193 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.5 120.13 6.54 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 167.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.51 126.96 34.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.79 0.329 . . . . 0.0 110.835 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.65 155.89 21.78 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.93 110.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.047 0.451 . . . . 0.0 110.538 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -93.19 125.68 37.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.3 0.572 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 12.7 p80 -128.86 142.03 43.69 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.145 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 17.1 Cg_exo -67.37 77.43 0.48 Allowed 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.209 2.606 . . . . 0.0 113.057 -175.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 62.11 -92.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.269 177.045 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 p90 -156.22 167.68 29.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.495 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p -96.35 156.29 16.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.957 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -92.32 106.67 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.13 112.43 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.617 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -73.0 -51.01 19.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.228 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' ' HA3' ' A' ' 124' ' ' GLY . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' HA ' HG11 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 4.9 pm0 -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.534 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.922 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.534 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.922 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.578 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.13 89.44 0.23 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' A' ' 20' ' ' ARG . . . -124.97 44.24 1.29 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.059 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.789 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -84.22 3.09 36.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.07 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.41 -42.15 95.39 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -134.86 81.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.64 170.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 125' ' ' LEU . 80.8 t60 -154.33 58.95 0.7 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.723 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 48.17 -111.38 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.692 -174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 62.29 19.03 10.71 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.282 0.563 . . . . 0.0 110.956 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -102.86 86.32 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.645 175.614 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.768 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . 2.3 Cg_endo -81.79 121.33 3.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.211 2.607 . . . . 0.0 112.535 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.01 -4.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.469 0.652 . . . . 0.0 109.788 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -141.95 92.53 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 57.81 -94.36 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.731 0.644 . . . . 0.0 109.544 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.916 ' HA ' ' HB3' ' A' ' 2' ' ' PRO . 44.7 mt-10 -137.21 126.69 25.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -142.58 82.79 12.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.984 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -99.37 110.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 123.33 2.686 . . . . 0.0 111.185 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.69 131.18 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.238 0.542 . . . . 0.0 109.861 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.16 80.66 3.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' ASN . 11.9 p -114.6 -79.88 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.92 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' HA ' ' HB2' ' A' ' 25' ' ' ASN . 44.1 m-85 -74.98 82.3 2.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.267 0.556 . . . . 0.0 111.318 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.52 168.46 24.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.126 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.42 90.9 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.458 . . . . 0.0 109.945 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -79.44 -18.13 52.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.955 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.77 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' THR . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.652 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' SER . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.439 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.77 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.604 ' HB2' HG21 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.509 HD13 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.456 ' HB2' HD23 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.436 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.561 ' HE1' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.439 HG12 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.91 84.84 0.88 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.47 -55.37 30.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.427 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.42 141.64 50.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -91.2 -82.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.696 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 50.59 56.41 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.402 0.439 . . . . 0.0 110.114 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.05 97.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.813 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.01 156.17 44.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.062 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -104.11 110.24 22.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 0.0 110.598 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.67 -10.84 50.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.423 176.496 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.557 0.217 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.6 155.81 40.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.746 2.297 . . . . 0.0 111.229 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' GLN . 86.6 mt -80.15 -24.68 40.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.757 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 71.76 -36.28 0.36 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.584 0.754 . . . . 0.0 112.06 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' LEU . 10.7 pt20 -70.16 1.63 4.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.767 0.427 . . . . 0.0 112.048 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.94 -54.94 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 110.724 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -128.8 85.68 59.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 111.134 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.74 168.97 22.63 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.186 2.591 . . . . 0.0 111.632 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 64.98 90.27 0.09 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.561 0.538 . . . . 0.0 110.984 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -83.81 139.2 32.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.718 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -130.06 143.98 51.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.153 0.501 . . . . 0.0 111.514 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 7.4 p90 -127.22 89.13 2.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.197 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.71 135.66 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.568 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.79 97.24 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.34 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -13.84 59.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 -177.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.63 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.63 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 12' ' ' TYR . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.4 m80 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD23 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HG21 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD3' HG22 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.716 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 HG21 HD22 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HG3' HD23 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.621 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.421 HG12 ' OG ' ' A' ' 32' ' ' SER . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.67 -130.59 10.25 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.56 -67.29 0.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.824 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.2 tp -83.72 161.2 21.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.599 0.238 . . . . 0.0 110.422 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 2.1 mp0 -55.65 147.23 18.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -91.82 151.54 20.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -78.91 78.71 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 67.32 -70.53 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.623 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.7 -86.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -169.88 15.57 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.953 0.406 . . . . 0.0 110.535 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.573 176.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.28 -22.06 34.82 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.652 2.235 . . . . 0.0 111.785 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.3 mt -126.06 -176.74 3.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.125 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.67 -176.54 6.27 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.61 117.02 8.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.296 0.569 . . . . 0.0 110.626 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 9.8 tp10 -84.6 171.03 12.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.686 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 58.9 t-80 81.81 87.97 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.204 0 O-C-N 124.131 0.895 . . . . 0.0 111.871 175.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.44 114.99 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.165 1.91 . . . . 0.0 110.578 168.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.3 145.87 36.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.234 0.54 . . . . 0.0 112.014 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -85.69 5.97 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.606 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -68.37 125.05 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.19 111.64 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.498 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.8 106.19 10.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.378 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.09 110.88 22.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.834 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -115.88 -53.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.872 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HA ' HG11 ' A' ' 122' ' ' VAL . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.51 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 109' ' ' LEU . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.534 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.754 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.754 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' HD23 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.476 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.534 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 69' ' ' LEU . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 30' ' ' GLN . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.88 131.06 50.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.87 138.8 42.3 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.873 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.71 -35.7 75.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 110.736 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.15 143.23 52.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.563 0.697 . . . . 0.0 111.292 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -150.07 -36.09 0.16 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.62 -162.97 0.2 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.311 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -113.52 -64.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.17 89.55 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -75.08 -22.37 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.66 172.254 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 85.0 mtp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -75.38 45.08 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.294 2.663 . . . . 0.0 112.642 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.65 99.2 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -100.13 -43.56 6.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.824 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -86.29 124.49 32.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.972 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -63.94 143.53 57.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.402 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -63.46 123.2 80.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.754 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.86 119.57 1.19 Allowed 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.81 3.006 . . . . 0.0 113.525 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.69 103.71 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.58 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -152.35 118.18 5.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 m -58.92 109.25 0.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.499 . . . . 0.0 110.994 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -74.78 108.41 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.998 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.7 ' HA ' ' HE2' ' A' ' 106' ' ' TYR . . . -127.94 22.5 6.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.013 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? 68.36 175.66 0.27 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.834 -176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -164.66 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.518 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.7 ' HE2' ' HA ' ' A' ' 13' ' ' ALA . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.563 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD11 ' HE2' ' A' ' 120' ' ' MET . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.7 74.0 1.0 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.43 48.77 0.16 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.28 97.6 10.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.842 0.353 . . . . 0.0 111.381 -173.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.17 106.73 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 172.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -134.97 124.86 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.2 t60 56.5 45.91 21.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.493 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -84.05 98.74 10.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -106.67 -26.08 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.484 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -98.62 125.84 44.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.012 179.469 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.6 Cg_endo -84.74 101.2 0.78 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.706 2.271 . . . . 0.0 111.941 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp -83.05 71.84 10.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -96.32 -57.42 2.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.921 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -96.55 114.21 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.0 147.93 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 62.3 88.2 0.12 Allowed Pre-proline 0 N--CA 1.464 0.256 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.59 -167.64 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.704 2.269 . . . . 0.0 113.087 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -92.46 167.39 12.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.887 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 12' ' ' TYR . 49.5 t80 -64.29 -22.72 67.05 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.086 0.241 . . . . 0.0 110.59 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.5 p 67.68 -41.11 0.42 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.265 1.426 . . . . 0.0 113.384 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 95.6 m-85 -79.66 79.76 6.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.39 125.78 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.747 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -87.03 101.61 13.61 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 -78.69 -32.84 47.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.572 -168.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.496 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.826 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 89.7 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB3' HG23 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.607 ' HB2' HD13 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.607 HD13 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.517 ' HE2' HD21 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.69 -85.42 0.54 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.78 -110.59 0.67 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.96 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.5 pt? -135.39 149.1 49.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.703 0.287 . . . . 0.0 110.264 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 1.8 tm-20 -134.94 147.58 49.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 126' ' ' GLU . 2.4 m80 72.59 111.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.797 0.686 . . . . 0.0 111.659 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -69.6 94.76 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.569 0.699 . . . . 0.0 109.235 172.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -149.91 143.52 25.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.894 -172.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.7 t60 74.01 -37.79 0.38 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.669 0.788 . . . . 0.0 112.465 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.6 m170 67.89 -173.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.146 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 22.9 mmt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 11.9 Cg_exo -69.87 104.02 1.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.646 2.231 . . . . 0.0 112.556 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.78 110.15 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -114.25 -80.67 0.6 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.36 -83.2 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.661 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.05 59.91 4.13 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.698 0.624 . . . . 0.0 110.332 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.62 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 44.5 t-80 -72.53 -50.78 7.73 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.97 -175.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 20.6 Cg_exo -66.13 110.76 1.83 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.982 1.788 . . . . 0.0 111.852 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.39 -19.75 20.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -83.54 97.38 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.379 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 m -100.72 130.32 46.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.265 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.8 136.11 38.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.43 131.91 22.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.17 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 17' ' ' ALA . 56.2 tp -75.46 98.32 3.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -87.92 -32.11 19.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.02 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 14' ' ' LEU . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.653 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 14' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.817 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 51' ' ' GLN . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.994 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 75.0 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.8 t30 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 HD12 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.561 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 30.0 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 79' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.489 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.544 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 67' ' ' VAL . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.817 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.561 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.561 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.7 -127.05 7.17 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 124.15 109.05 1.84 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.881 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.55 120.22 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 70.12 137.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.035 0.835 . . . . 0.0 111.171 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -141.68 -21.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.008 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -123.56 -45.58 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.178 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -86.17 30.24 0.7 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.904 -173.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.68 33.24 2.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 110.229 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -109.12 99.97 9.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.358 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.21 175.782 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.562 0.22 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.81 -176.08 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.678 2.252 . . . . 0.0 111.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.98 57.54 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.909 0.385 . . . . 0.0 110.405 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 62.87 -83.38 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.211 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 58.93 68.38 0.82 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.445 0.641 . . . . 0.0 109.945 -173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 46.4 mt-10 -127.59 -164.69 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.124 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 62.8 m-70 74.0 129.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.817 0.698 . . . . 0.0 110.582 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 13.8 Cg_exo -68.04 123.48 10.69 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.041 2.494 . . . . 0.0 112.78 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -107.68 119.63 39.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -90.91 83.52 5.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.983 0.897 . . . . 0.0 110.746 -175.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -91.34 4.21 52.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.275 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -98.36 106.11 18.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.77 152.81 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.208 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' ' HB1' ' A' ' 103' ' ' ALA . 3.8 mm? -65.65 -44.12 87.33 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.336 0.397 . . . . 0.0 110.575 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 67.52 -67.56 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 124.01 0.819 . . . . 0.0 112.045 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' MET . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.629 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.419 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.629 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.657 ' HG2' HD11 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD12 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB3' HG23 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' HD23 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.618 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.411 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.48 -138.93 11.49 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 66.01 14.57 61.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.86 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.606 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -64.89 -24.01 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -101.05 1.64 39.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.291 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.95 -39.84 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -87.44 98.63 11.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.44 119.21 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -62.78 -52.37 63.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.26 -172.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -142.68 -37.27 0.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.0 m80 . . . . . 0 C--O 1.242 0.7 0 CA-C-O 118.711 -0.662 . . . . 0.0 109.82 178.015 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 26.8 ttt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 16.1 Cg_exo -67.81 72.97 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.074 2.516 . . . . 0.0 112.628 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt 64.53 -178.75 0.17 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.751 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -157.76 154.26 27.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -149.92 134.33 17.38 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.496 -174.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.67 135.54 46.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.034 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER 66.87 64.42 0.77 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.061 0.851 . . . . 0.0 112.094 -177.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 86.4 Cg_endo -98.19 30.19 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.501 2.801 . . . . 0.0 111.396 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.08 104.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.683 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -110.24 148.38 31.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 p -75.68 104.42 6.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.71 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HE2' ' HE2' ' A' ' 106' ' ' TYR . 28.2 p90 -69.32 128.31 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB1' ' HG3' ' A' ' 15' ' ' ARG . . . -95.78 -60.78 1.57 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.478 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.5 tp 55.96 75.03 0.36 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.641 0.588 . . . . 0.0 109.975 -174.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 57.6 mtt-85 -112.41 4.79 17.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.475 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 118' ' ' LEU . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 HG13 HG23 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 77' ' ' GLN . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.654 ' HB3' HD11 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 80' ' ' SER . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.64 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.441 ' HE2' ' HE2' ' A' ' 12' ' ' TYR . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 32' ' ' SER . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . 98.55 -100.02 2.26 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.41 -56.42 4.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.051 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.64 141.07 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.606 0.762 . . . . 0.0 111.77 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.94 150.02 49.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.745 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -134.63 -1.1 2.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.523 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -69.28 148.62 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.213 -0.305 . . . . 0.0 110.2 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -84.46 88.48 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.895 0.855 . . . . 0.0 112.254 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -122.15 139.34 53.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -60.29 113.95 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 0.0 111.405 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.8 m170 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.546 176.84 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.917 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 119.731 -0.176 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_endo -87.34 102.18 0.53 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.171 1.914 . . . . 0.0 111.774 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.89 7.05 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 110.972 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -126.11 171.34 10.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.974 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.81 75.27 4.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.549 . . . . 0.0 109.926 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.08 141.3 28.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.096 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.78 117.16 65.54 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.662 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.96 -49.29 11.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.425 2.084 . . . . 0.0 110.857 173.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -95.71 120.52 36.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.955 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -87.03 112.82 22.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -88.68 147.17 24.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.951 0.405 . . . . 0.0 110.07 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -142.68 134.79 27.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.52 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.83 77.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.46 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 tp 70.27 151.47 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.88 0.738 . . . . 0.0 110.96 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -89.41 -57.73 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.573 ' NH2' ' HA2' ' A' ' 124' ' ' GLY . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG11 HD22 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.614 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.437 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.507 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.624 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.74 -147.54 19.19 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.573 ' HA2' ' NH2' ' A' ' 20' ' ' ARG . . . 108.16 23.4 6.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.573 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.7 mt -116.61 -7.82 11.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.712 0.292 . . . . 0.0 110.941 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.7 72.89 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.694 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -86.75 88.27 7.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -104.29 89.25 3.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 67.6 138.73 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.135 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -87.51 61.66 6.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 170.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.77 35.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.779 -176.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.043 -179.889 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 24.6 Cg_exo -63.52 -68.2 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.344 2.03 . . . . 0.0 111.917 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER 54.36 68.75 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -108.42 89.39 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -93.86 -13.68 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.17 142.87 15.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.518 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -70.41 113.12 15.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 111.671 -170.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' A' ' 9' ' ' ASP . 88.1 Cg_endo -95.38 -149.97 0.03 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.619 2.88 . . . . 0.0 112.052 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' ' HB2' ' A' ' 8' ' ' PRO . 30.7 t70 -74.7 145.0 43.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -92.62 70.76 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -67.55 -49.31 63.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.012 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.68 94.92 5.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.73 148.69 36.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.46 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.0 94.31 5.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.088 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.678 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -95.88 8.95 42.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.678 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.822 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.553 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.475 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.589 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.529 ' HD2' HD13 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.529 HD13 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 35' ' ' LEU . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.65 29.34 63.98 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.72 56.49 4.51 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.412 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.6 mt -129.67 96.51 4.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.894 0.378 . . . . 0.0 111.052 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.02 126.02 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.328 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.8 73.52 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.391 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 m80 53.21 -103.29 0.16 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.577 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -97.08 -60.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -163.66 140.52 7.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.23 0.612 . . . . 0.0 109.401 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -151.82 -49.72 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.519 0.512 . . . . 0.0 110.066 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.905 -179.153 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.76 115.82 3.78 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.758 2.306 . . . . 0.0 111.543 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.77 75.52 10.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.381 0.61 . . . . 0.0 112.001 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -141.25 17.29 2.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.577 1.179 . . . . 0.0 107.852 168.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 5.8 tp-100 -158.63 102.8 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.742 -1.572 . . . . 0.0 108.257 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -66.35 0.59 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 -175.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -144.64 108.46 4.77 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' CG ' ' A' ' 5' ' ' GLN . 12.5 Cg_exo -70.72 170.17 18.37 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.725 2.283 . . . . 0.0 111.001 172.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.86 100.02 5.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.055 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 63.35 105.81 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.527 0.679 . . . . 0.0 112.296 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -70.31 131.89 44.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 41.4 m-85 -71.81 85.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.64 151.72 31.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.101 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 103' ' ' ALA . 45.3 tp -67.92 141.77 56.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.786 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.02 -56.8 2.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.641 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.453 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HG22 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HA ' ' HB3' ' A' ' 57' ' ' MET . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.579 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.534 HG22 HD21 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.458 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.442 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 -156.42 26.68 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.39 -62.55 0.23 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt 61.56 94.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.252 0.621 . . . . 0.0 112.03 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -116.93 20.22 13.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.366 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 19.6 p80 -69.82 -4.05 18.39 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.835 -175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.58 -27.52 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 169.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -134.03 80.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.82 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 127' ' ' HIS . 53.4 t-80 -131.15 109.75 10.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -96.41 158.84 15.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.295 -0.86 . . . . 0.0 109.379 178.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.23 116.36 3.99 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.287 1.991 . . . . 0.0 111.415 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.81 93.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.139 0.495 . . . . 0.0 111.039 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -130.51 103.3 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.881 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.701 ' HG2' ' H ' ' A' ' 6' ' ' GLU . 31.9 tt0 -173.46 -173.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.701 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 1.6 mp0 -58.69 98.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 42.5 t-80 -66.5 -52.94 32.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.033 -174.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 29.5 Cg_exo -62.3 -60.84 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.763 1.642 . . . . 0.0 112.222 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -167.96 141.56 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.881 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -83.86 139.26 32.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.882 0.372 . . . . 0.0 110.231 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.691 HG22 ' H ' ' A' ' 13' ' ' ALA . 8.4 m -116.28 135.46 53.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.961 0.41 . . . . 0.0 111.554 -173.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -76.16 -10.86 59.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.48 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' H ' HG22 ' A' ' 11' ' ' THR . . . -71.69 109.81 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.319 -175.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp 62.76 79.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.483 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -89.4 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.857 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.569 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.798 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 122' ' ' VAL . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.58 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.603 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 HD12 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.446 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' HD23 ' A' ' 69' ' ' LEU . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.483 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.596 HD12 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 30' ' ' GLN . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.78 70.29 3.21 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.75 131.41 11.95 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -79.15 97.36 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.852 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.91 143.93 45.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.563 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 41.1 m80 63.0 72.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.02 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -93.29 158.8 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.458 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -80.69 137.6 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -171.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -81.79 -14.69 56.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.3 0.571 . . . . 0.0 109.528 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -116.62 98.55 6.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.42 -175.702 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 67.1 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -74.27 81.67 1.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.878 2.385 . . . . 0.0 111.393 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.99 104.32 14.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.767 -176.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -84.09 -32.84 24.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.044 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -80.94 84.75 6.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.6 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.242 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -114.17 137.15 22.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.44 -81.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.596 2.198 . . . . 0.0 112.537 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.26 109.34 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.291 . . . . 0.0 110.401 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -119.82 86.2 2.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.271 0.557 . . . . 0.0 109.725 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -148.87 115.37 5.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.508 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.31 108.65 5.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.409 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.746 ' HB3' ' H ' ' A' ' 25' ' ' ASN . . . -87.3 -98.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.912 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 tp 66.75 -14.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.351 0.66 . . . . 0.0 112.223 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 13' ' ' ALA . 35.7 mtm180 -79.82 -5.0 54.58 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.648 0.379 . . . . 0.0 111.802 -175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.746 ' H ' ' HB3' ' A' ' 13' ' ' ALA . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.421 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 69' ' ' LEU . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HD3' HD22 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.676 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.48 -22.99 76.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.84 -87.06 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.837 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.81 153.4 33.05 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -9.22 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.883 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -78.04 83.49 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.19 0.519 . . . . 0.0 111.082 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.06 1.21 47.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -158.18 154.11 26.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.496 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.29 149.75 35.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -85.98 127.34 34.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 0.0 110.632 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.257 177.265 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 99' ' ' ASN . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.455 HG12 ' ND2' ' A' ' 25' ' ' ASN . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' ND2' HG12 ' A' ' 24' ' ' VAL . 31.1 m-80 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.751 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HG3' ' HD2' ' A' ' 54' ' ' PRO . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 53' ' ' GLN . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 HD13 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 90' ' ' ARG . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.505 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.473 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' SER . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.473 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HD3' HH11 ' A' ' 15' ' ' ARG . 34.0 mtm180 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' HG13 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 77' ' ' GLN . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' H ' HG21 ' A' ' 72' ' ' THR . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HG23 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.651 ' HG ' HD23 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.717 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.717 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.651 HD23 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.851 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.65 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.65 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 15' ' ' ARG . 12.9 ptm180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.607 ' NE ' ' HA ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.623 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 118' ' ' LEU . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.406 HD11 ' HB1' ' A' ' 102' ' ' ALA . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.754 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.754 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 33' ' ' PHE . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.614 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HG ' HG23 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.796 ' HB3' HD11 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.425 HG22 HG22 ' A' ' 68' ' ' ILE . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD2' HD22 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.981 0.419 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.649 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.481 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 12.3 mm100 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' A' ' 74' ' ' GLU . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.796 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.421 HD13 HG11 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.677 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.677 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.473 ' HE2' HD11 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.476 ' C ' ' HD3' ' A' ' 15' ' ' ARG . 3.7 tmt_? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.75 0.309 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.704 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 34' ' ' ILE . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 ' C ' HD22 ' A' ' 64' ' ' ASN . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.591 HD22 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' A' ' 116' ' ' VAL . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.712 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 83' ' ' VAL . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.633 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.671 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.671 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' HA ' HG11 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.534 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.922 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.534 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD2' ' HA ' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.922 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.578 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.353 0.597 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.77 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.652 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' SER . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.439 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.77 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.604 ' HB2' HG21 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.509 HD13 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.456 ' HB2' HD23 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.436 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.452 HD22 ' C ' ' A' ' 107' ' ' ASN . 0.2 OUTLIER -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.561 ' HE1' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.439 HG12 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.63 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.63 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.495 HE21 HD21 ' A' ' 29' ' ' LEU . 22.5 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.495 HD21 HE21 ' A' ' 27' ' ' GLN . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD23 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HG21 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD3' HG22 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.716 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.428 HG21 HD22 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HG3' HD23 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.621 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.421 HG12 ' OG ' ' A' ' 32' ' ' SER . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HA ' HG11 ' A' ' 122' ' ' VAL . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.51 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 109' ' ' LEU . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.534 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.754 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.754 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' HD23 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.476 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.534 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 69' ' ' LEU . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 30' ' ' GLN . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.017 0.436 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.518 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.914 HG13 HE22 ' A' ' 51' ' ' GLN . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.914 HE22 HG13 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.563 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD11 ' HE2' ' A' ' 120' ' ' MET . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.496 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.826 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 25.8 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB3' HG23 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.607 ' HB2' HD13 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.607 HD13 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.517 ' HE2' HD21 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.661 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.653 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 40' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.817 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 51' ' ' GLN . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.994 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 22.4 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.453 HD22 HD11 ' A' ' 92' ' ' ILE . 3.4 t-20 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 HD12 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.561 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 4.6 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 79' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.489 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.544 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 67' ' ' VAL . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.817 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.561 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.561 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' MET . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.629 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.419 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.629 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.657 ' HG2' HD11 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD12 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB3' HG23 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' HD23 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.618 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.411 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.537 0.208 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 118' ' ' LEU . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 m120 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.444 HG13 HG23 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 77' ' ' GLN . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.654 ' HB3' HD11 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 80' ' ' SER . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.64 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 32' ' ' SER . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . . . . . . 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.521 ' HD2' ' OE2' ' A' ' 74' ' ' GLU . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG11 HD22 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.614 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.507 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.624 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.678 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.678 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.822 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.553 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.475 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.589 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.529 ' HD2' HD13 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.529 HD13 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.465 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 35' ' ' LEU . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.641 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 31' ' ' GLN . 8.5 mm100 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.453 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HG22 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HA ' ' HB3' ' A' ' 57' ' ' MET . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.579 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.534 HG22 HD21 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.458 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' ALA . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.442 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.294 0.568 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.569 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.798 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 122' ' ' VAL . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.58 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.603 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 HD12 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.446 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' HD23 ' A' ' 69' ' ' LEU . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.483 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.596 HD12 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 30' ' ' GLN . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 15' ' ' ARG . 35.7 mtm180 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.505 HD21 ' CG1' ' A' ' 122' ' ' VAL . 6.6 m-20 -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.421 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 69' ' ' LEU . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HD3' HD22 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.676 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.21 118.13 5.26 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 110.786 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.32 11.65 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.714 0.293 . . . . 0.0 111.574 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -105.95 76.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 174.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HA ' ' HG3' ' A' ' 8' ' ' PRO . 25.6 mm-40 -137.78 -155.55 0.61 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.09 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' A' ' 5' ' ' GLN . 33.4 mt-10 65.95 93.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.64 0.588 . . . . 0.0 110.806 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 33.2 p-80 42.59 58.67 10.94 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 114.667 -1.151 . . . . 0.0 113.598 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 3.4 Cg_exo -81.64 -14.4 10.24 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.179 1.919 . . . . 0.0 110.045 170.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 t70 59.26 -150.56 0.43 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.07 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.31 132.8 48.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.474 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.0 m -69.17 113.14 6.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.023 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.418 ' HB3' HD21 ' A' ' 25' ' ' ASN . 96.1 m-85 -69.71 140.71 53.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.066 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.63 139.31 52.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 tp -84.57 118.27 24.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -86.73 -48.85 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.963 -174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.76 137.02 9.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.941 0.4 . . . . 0.0 111.218 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 99' ' ' ASN . . . -124.61 108.38 11.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.704 174.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.59 -24.32 31.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.256 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.14 -28.5 6.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.373 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.588 ' HB3' ' HA3' ' A' ' 124' ' ' GLY . 91.3 mtt180 -106.87 -30.1 9.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.334 0.588 . . . . 0.0 109.426 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -128.57 159.34 35.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.835 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.27 122.29 29.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.081 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -98.43 98.3 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.077 0.465 . . . . 0.0 110.468 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG12 ' ND2' ' A' ' 25' ' ' ASN . 21.9 t -97.61 101.1 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.308 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' ND2' HG12 ' A' ' 24' ' ' VAL . 31.1 m-80 64.57 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.75 3.26 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.557 . . . . 0.0 109.589 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -93.17 122.6 35.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.001 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.59 108.42 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.205 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.22 139.74 37.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 33.24 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.652 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -141.37 -157.13 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 120' ' ' MET . 18.1 m -105.67 134.87 48.09 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -150.0 162.79 39.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 38.4 mt -119.24 118.47 57.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 40' ' ' LEU . 68.2 tp -108.81 124.73 51.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.197 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.4 mtp -136.68 157.46 75.0 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.224 177.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.56 39.16 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.263 2.642 . . . . 0.0 112.737 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -139.12 -45.28 0.47 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -167.93 178.42 5.17 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.121 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 35' ' ' LEU . 61.2 tp -110.76 117.67 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.159 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 38.9 t -96.47 99.15 8.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.13 -24.24 47.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.075 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -87.7 90.17 8.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.696 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -140.63 98.8 7.06 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.1 34.21 0.51 Allowed 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 123.159 2.572 . . . . 0.0 113.8 -170.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.82 84.78 16.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.796 0.332 . . . . 0.0 110.562 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -82.13 -17.54 7.91 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 m -132.31 136.15 46.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.275 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 77' ' ' GLN . 4.0 pp -81.08 2.85 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.859 0.361 . . . . 0.0 111.366 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.21 -12.75 69.42 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.751 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -112.48 11.37 19.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 109.922 174.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 20.4 tp -75.31 115.62 15.16 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.484 0.659 . . . . 0.0 110.49 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HG3' ' HD2' ' A' ' 54' ' ' PRO . 35.9 tt0 -149.57 146.78 21.41 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.501 -176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD3' HG22 ' A' ' 83' ' ' VAL . 74.5 Cg_exo -51.17 -23.03 12.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.775 2.317 . . . . 0.0 112.918 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' H ' ' HG2' ' A' ' 53' ' ' GLN . . . -66.83 -28.06 68.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 0.0 111.371 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -102.04 -12.62 18.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.375 0.607 . . . . 0.0 110.347 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 89.2 mtp -96.11 5.31 51.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.982 174.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.53 -39.53 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.55 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.0 79.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 HD13 ' A' ' 34' ' ' ILE . 21.4 t -68.57 -42.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.941 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.1 -31.63 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.675 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.57 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.99 -26.54 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 59.41 81.05 0.26 Allowed Pre-proline 0 N--CA 1.464 0.272 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.761 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -94.13 178.53 0.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.915 2.41 . . . . 0.0 111.957 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.98 -44.24 5.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.362 0.601 . . . . 0.0 109.769 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.64 139.68 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.949 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -119.06 119.37 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.319 . . . . 0.0 110.229 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 95' ' ' GLU . 96.4 mt -99.79 109.82 22.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.886 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.11 115.15 26.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.15 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.81 121.47 6.53 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -98.49 35.97 1.71 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.72 -114.91 3.87 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.7 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.41 -0.39 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.356 0.598 . . . . 0.0 109.798 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -113.19 77.76 1.08 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.35 -172.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.16 121.31 14.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.84 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB3' HD21 ' A' ' 49' ' ' LEU . 55.3 tt0 -149.4 138.13 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.155 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.4 m-85 -86.1 142.05 35.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.423 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 27.4 Cg_exo -62.93 161.97 27.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.349 2.699 . . . . 0.0 112.393 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -58.81 140.63 54.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.405 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -61.09 -22.82 64.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.54 -38.52 77.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.937 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG22 ' HD3' ' A' ' 54' ' ' PRO . 60.4 t -68.57 -37.67 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.46 -32.25 73.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.106 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.68 98.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.986 0.422 . . . . 0.0 111.029 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.85 75.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.64 -45.64 57.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.66 -44.3 96.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 p -62.87 -39.59 94.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.621 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 90' ' ' ARG . 46.5 mtt180 -79.64 -19.7 48.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 111.288 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.13 28.83 27.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.45 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 90' ' ' ARG . 45.5 mm -87.37 126.98 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 110.331 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -83.8 92.34 1.68 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.921 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.3 tp -88.86 119.04 29.0 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.1 tp10 -118.96 125.59 49.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.432 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.03 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.831 0.348 . . . . 0.0 110.793 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.8 mtt -133.23 -178.02 4.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.4 p -88.19 161.45 17.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.473 ' ND2' HG13 ' A' ' 122' ' ' VAL . 4.8 m-20 -60.86 -33.05 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.35 85.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.38 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.23 -33.86 75.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.92 71.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -77.47 -47.87 18.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.975 0.416 . . . . 0.0 110.013 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 m -62.77 -38.73 91.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.43 -36.62 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.382 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.63 -46.91 86.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.493 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.02 -48.65 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.79 -30.97 71.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.9 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.9 m -78.73 -27.0 44.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.707 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.91 -37.97 76.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 0.0 110.015 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.66 6.33 67.92 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.201 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.22 145.56 28.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -64.99 100.33 0.41 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.333 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.2 136.95 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.174 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -105.11 112.38 25.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.837 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.99 102.69 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.859 0.361 . . . . 0.0 110.308 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.56 101.52 12.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.037 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' SER . 15.4 mmt -96.65 118.8 33.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.399 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.58 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.473 HG13 ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -105.21 112.47 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.517 . . . . 0.0 111.137 177.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.23 67.6 3.66 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.45 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.588 ' HA3' ' HB3' ' A' ' 20' ' ' ARG . . . -145.66 58.05 0.51 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.16 -20.67 26.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.768 0.318 . . . . 0.0 110.74 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.81 -176.42 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.43 0.633 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -133.15 -150.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.226 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -41.42 113.44 0.41 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -69.58 -69.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -164.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -144.64 -33.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.943 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -73.01 142.13 47.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.201 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.777 178.034 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.626 ' HA ' ' HA ' ' A' ' 6' ' ' GLU . 37.0 Cg_endo -66.98 -14.56 44.1 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.917 2.411 . . . . 0.0 113.314 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.87 45.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 0.0 110.453 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 177.3 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -159.27 110.53 2.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.4 175.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.775 ' HG3' ' H ' ' A' ' 7' ' ' HIS . 6.2 pt-20 -54.56 -67.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.775 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 44.3 t-80 -173.37 123.59 0.43 Allowed Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.49 124.08 14.87 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.535 2.157 . . . . 0.0 111.471 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.03 140.03 34.15 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -109.23 14.77 23.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.738 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 p -115.15 -174.29 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.332 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -112.31 30.25 7.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.178 0.513 . . . . 0.0 109.878 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 25' ' ' ASN . . . 64.56 6.86 3.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.349 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 35' ' ' LEU . 50.5 tp -76.52 76.1 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.278 0.561 . . . . 0.0 109.615 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HD3' HH11 ' A' ' 15' ' ' ARG . 34.0 mtm180 -128.62 6.48 5.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.106 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.59 99.36 7.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.173 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.22 112.13 22.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 4.0 t70 -106.36 -38.89 6.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 119.26 -54.9 0.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' HG13 ' A' ' 122' ' ' VAL . 37.2 ttm180 -101.62 -2.22 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 55.6 m80 -138.38 138.34 38.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.431 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.97 147.16 33.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 71.1 tttt -128.99 118.45 22.62 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.202 -178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.29 122.67 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 m-20 60.53 -83.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.742 0.651 . . . . 0.0 110.92 -172.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 23.2 tt0 -144.13 7.73 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -103.74 129.23 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.433 -177.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.63 104.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.24 124.27 44.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -116.77 27.16 9.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.801 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -125.2 -154.66 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.772 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 m -105.89 128.01 53.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -150.32 152.08 33.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.912 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -106.77 111.08 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 67.5 tp -105.54 127.86 53.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.078 0.466 . . . . 0.0 110.461 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 85.3 mtp -124.65 157.83 64.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.74 -4.49 7.23 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.005 2.47 . . . . 0.0 112.836 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.49 -61.4 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 111.208 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -124.09 157.33 34.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.002 0.43 . . . . 0.0 111.32 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.7 tp -115.17 127.12 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -123.29 95.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.333 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 7.94 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 0.0 110.152 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -86.72 43.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.883 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t90 -112.28 99.46 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 -174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 4.8 Cg_exo -77.81 70.5 6.95 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.347 2.698 . . . . 0.0 113.161 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -126.85 97.2 33.25 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.024 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.08 99.63 1.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.827 2.351 . . . . 0.0 111.901 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m 67.65 161.87 0.18 Allowed 'General case' 0 CA--C 1.533 0.289 0 O-C-N 123.765 0.666 . . . . 0.0 111.14 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.8 tp -83.25 58.79 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.366 0.603 . . . . 0.0 110.504 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.46 -1.54 2.17 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.18 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -129.93 20.86 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.865 0.84 . . . . 0.0 109.801 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 79' ' ' PRO . 52.5 tp -81.96 88.82 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.822 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.44 159.02 45.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.498 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.4 Cg_exo -54.9 -32.75 79.26 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.616 2.211 . . . . 0.0 112.394 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.84 71.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.548 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.73 -23.54 24.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.065 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tpt -87.67 -15.04 38.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.18 -35.31 73.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.585 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -59.5 -39.4 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.9 -40.11 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 0.0 109.892 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.25 -26.1 64.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.853 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.41 -29.87 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 95.1 mt -71.89 -35.14 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 62.6 80.2 0.25 Allowed Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.79 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 92' ' ' ILE . 87.4 Cg_endo -89.96 171.47 3.97 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.727 2.284 . . . . 0.0 111.656 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.82 -48.52 18.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.178 0.513 . . . . 0.0 109.899 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.4 p -146.33 146.96 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.549 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.52 122.7 67.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 95' ' ' GLU . 83.8 mt -106.34 106.42 16.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.0 tp -90.87 121.6 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.192 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.22 128.17 9.47 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 77' ' ' GLN . 31.7 p -93.9 11.8 28.23 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 61.4 -86.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.67 -167.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -123.95 166.2 16.1 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 65.02 170.44 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.545 0.528 . . . . 0.0 111.359 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -109.46 113.64 26.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.403 0.621 . . . . 0.0 110.538 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' H ' HG21 ' A' ' 72' ' ' THR . 25.0 mt-30 -130.76 157.64 42.29 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.351 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -137.03 152.24 73.53 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.412 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.514 ' HB3' HD23 ' A' ' 52' ' ' LEU . 41.1 Cg_endo -68.41 157.85 60.09 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.323 2.015 . . . . 0.0 111.139 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HG23 ' A' ' 83' ' ' VAL . 12.9 m -58.68 152.03 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -58.93 -36.82 75.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.72 -17.29 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.675 HG23 ' HB2' ' A' ' 80' ' ' SER . 30.2 t -88.23 -46.47 15.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.882 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.651 ' HG ' HD23 ' A' ' 94' ' ' LEU . 7.8 tt -61.32 -40.88 95.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.176 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.34 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 43.6 t -75.01 -40.09 60.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.295 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.3 -45.16 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 p -66.92 -34.3 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.702 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.717 ' HD2' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.48 -32.89 74.54 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.03 16.66 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.776 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.717 HG12 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mm -99.39 126.36 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.84 121.43 14.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.651 HD23 ' HG ' ' A' ' 84' ' ' LEU . 61.3 tp -111.22 124.18 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.833 0.349 . . . . 0.0 110.444 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 69' ' ' LEU . 9.6 tp10 -128.06 144.65 51.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.638 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.1 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 64.4 mtm -140.81 178.46 7.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.801 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 168.95 18.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.632 0.253 . . . . 0.0 110.664 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.851 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.5 t-20 -52.97 -50.15 64.69 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -171.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.4 63.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.681 0.277 . . . . 0.0 111.49 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.11 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.88 80.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.605 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.47 91.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.6 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.165 0.507 . . . . 0.0 110.557 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 69' ' ' LEU . 23.1 m -66.33 -33.43 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.821 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -55.43 -47.56 75.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -61.64 -39.39 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 0.0 111.008 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.02 -40.0 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.02 -33.87 61.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.13 74.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.2 t -61.25 -37.22 82.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.549 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.17 -22.2 39.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.478 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.44 13.87 60.88 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.909 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -74.65 128.46 35.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -73.42 91.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.479 0.657 . . . . 0.0 111.206 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.1 p -94.84 127.84 46.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.455 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -87.99 99.58 12.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.65 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 44.5 tp -87.57 92.5 9.12 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.078 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.06 91.35 8.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.757 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.65 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 96.1 mtp -88.94 100.47 13.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.582 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.2 mt -94.0 135.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 20' ' ' ARG . 90.4 t -114.33 137.55 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.66 40.31 2.48 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.085 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.93 -19.4 79.76 Favored Glycine 0 C--N 1.321 -0.296 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.769 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -3.72 55.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.57 0.224 . . . . 0.0 111.559 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -74.59 -10.3 59.41 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.288 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -75.22 -15.39 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.097 0.475 . . . . 0.0 109.76 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.6 m170 69.64 -85.96 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.072 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t60 63.59 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.825 0.45 . . . . 0.0 111.281 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 173.77 107.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -172.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -72.82 79.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.887 171.227 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.0 130.92 41.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.716 2.277 . . . . 0.0 111.761 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.48 -13.8 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.537 -172.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.03 24.36 6.4 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 57.61 -158.03 0.28 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.114 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 70.87 168.48 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.559 0.537 . . . . 0.0 110.467 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' HB2' ' HE1' ' A' ' 10' ' ' TYR . 4.5 m-70 -71.33 141.83 86.26 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.893 0.378 . . . . 0.0 111.591 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 5.8 Cg_exo -79.05 9.3 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.511 . . . . 0.0 111.511 174.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.64 -19.83 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.251 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HE1' ' HB2' ' A' ' 7' ' ' HIS . 69.0 m-85 -82.19 -24.79 34.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.381 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -86.53 121.18 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 111.546 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -136.64 167.53 21.24 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 26.3 tp 57.84 27.04 13.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.199 0.523 . . . . 0.0 110.808 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 15' ' ' ARG . 12.9 ptm180 -81.07 2.7 26.1 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . . . -140.21 105.13 4.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.972 0.415 . . . . 0.0 110.789 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.97 112.22 9.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.53 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -140.37 68.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.058 0.456 . . . . 0.0 111.559 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.21 -75.53 0.79 Allowed Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.12 170.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.494 HH12 ' CG ' ' A' ' 126' ' ' GLU . 89.3 mtt-85 -97.37 -6.61 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.301 . . . . 0.0 111.609 -172.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.21 150.91 49.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.166 0.507 . . . . 0.0 110.703 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -145.32 118.29 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.619 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 40.6 tttp -91.65 93.73 9.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.016 0.436 . . . . 0.0 110.804 -176.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.67 104.34 14.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.692 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.58 5.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.472 0.653 . . . . 0.0 110.123 174.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.22 134.35 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.306 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 49.6 mm -87.92 115.45 28.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.25 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.82 117.21 29.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.294 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -104.64 0.45 28.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -120.87 -86.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.068 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 120' ' ' MET . 5.7 m -149.13 150.07 32.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.172 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.2 145.51 10.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.043 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.1 mt -102.09 112.82 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.181 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 40' ' ' LEU . 53.9 tp -105.74 123.54 48.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.056 0.455 . . . . 0.0 110.181 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 87.0 mtp -135.31 162.29 58.27 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.436 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 55.9 Cg_endo -71.18 29.16 0.22 Allowed 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.673 2.248 . . . . 0.0 112.938 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.8 m-20 -151.41 -56.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.213 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -118.23 155.22 30.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.654 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 35' ' ' LEU . 60.4 tp -125.21 105.14 8.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.375 -0.829 . . . . 0.0 108.852 170.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 24.2 t -88.66 100.0 9.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.987 0.423 . . . . 0.0 110.522 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -84.84 -23.91 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.421 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -87.31 47.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.573 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -144.22 85.76 8.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 132.37 1.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.942 2.428 . . . . 0.0 112.582 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 48' ' ' SER . 45.2 t -134.23 102.51 11.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.157 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.31 94.05 0.58 Allowed 'Trans proline' 0 C--O 1.239 0.539 0 C-N-CA 122.617 2.211 . . . . 0.0 111.925 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.2 m 61.3 -164.13 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.793 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 77' ' ' GLN . 7.3 mp -88.78 30.32 0.93 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.182 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.4 3.75 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.894 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.64 20.78 12.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.08 80.01 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -124.9 161.84 46.75 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.123 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.66 -35.66 58.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.928 2.419 . . . . 0.0 112.836 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.6 -17.46 60.71 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -96.83 -26.21 15.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 57' ' ' MET . 50.3 ttm -95.74 4.97 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.904 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.51 -41.13 76.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.783 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.13 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 0.0 110.83 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.17 -38.54 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.06 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -30.21 69.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.597 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.69 -36.12 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.755 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.87 -5.4 50.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.564 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.7 83.16 0.2 Allowed Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 125.08 1.352 . . . . 0.0 114.392 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.24 177.36 5.23 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.05 2.5 . . . . 0.0 111.348 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.32 -41.11 13.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 109.986 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.31 129.31 31.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.449 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.2 mt -102.11 118.25 48.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.49 115.52 30.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.215 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.61 105.61 16.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.74 96.88 2.25 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 22.5 p -88.97 59.13 4.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 112.285 -171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.95 -120.94 21.9 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.858 -0.61 . . . . 0.0 113.182 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.6 -68.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.0 OUTLIER -114.15 160.48 18.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 10.2 pt20 -72.22 142.36 48.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.425 0.631 . . . . 0.0 111.047 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 49' ' ' LEU . 53.4 tp60 -130.05 131.07 45.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.453 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.6 m-85 -84.61 128.1 62.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -175.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.49 176.62 5.54 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.946 2.431 . . . . 0.0 112.63 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -69.72 158.96 34.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 p -52.85 -41.16 64.0 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.463 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -59.47 -33.02 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.577 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.03 -44.86 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 0.0 109.919 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -42.48 98.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.37 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.8 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 94' ' ' LEU . 29.5 t -65.84 -42.83 90.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.37 -47.88 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.781 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -69.0 -24.38 64.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.595 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.607 ' NE ' ' HA ' ' A' ' 90' ' ' ARG . 8.0 mmp_? -89.0 -5.78 57.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.649 0.261 . . . . 0.0 111.186 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.77 40.63 75.58 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.4 mt -117.0 146.05 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.75 132.36 11.15 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.039 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.623 ' HB2' ' SG ' ' A' ' 87' ' ' CYS . 41.7 tp -107.44 113.61 27.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.91 113.58 26.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.285 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.77 119.09 38.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.219 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 69.8 mtm -147.28 -175.45 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 111.294 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' ARG . 77.8 p -79.47 163.57 24.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.496 178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -55.04 -43.84 74.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.7 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.43 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.47 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.186 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 118' ' ' LEU . . . -61.36 -48.67 80.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.02 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.46 -54.76 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.1 t -74.78 -17.77 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.54 -33.87 74.57 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -54.84 -46.71 74.66 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.061 0.457 . . . . 0.0 110.813 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 t -68.76 -50.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.8 -44.13 97.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.52 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.246 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 m -66.8 -38.61 86.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.74 -35.62 80.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.909 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.53 21.55 16.58 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.5 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -68.07 139.18 56.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.87 74.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.596 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.56 124.62 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.291 0.567 . . . . 0.0 110.683 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.83 100.55 11.23 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.406 HD11 ' HB1' ' A' ' 102' ' ' ALA . 58.6 tp -87.95 89.84 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.298 0.57 . . . . 0.0 110.082 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 94.59 9.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.059 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 32' ' ' SER . 49.4 tpp -86.0 121.31 28.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 -174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.17 105.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.254 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.16 136.88 22.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.878 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.8 91.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.215 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.09 -84.91 0.59 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.228 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.66 -173.47 2.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.494 ' CG ' HH12 ' A' ' 20' ' ' ARG . 45.0 mt-10 -129.22 175.03 9.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.561 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -67.28 146.63 53.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.938 0.399 . . . . 0.0 111.655 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -147.86 117.08 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -80.94 -31.55 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.321 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -76.19 130.64 38.54 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.042 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -85.84 138.76 31.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.428 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.667 177.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.9 89.5 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.432 2.088 . . . . 0.0 113.107 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.787 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.9 pt? -94.2 99.61 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 173.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -99.49 32.81 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.336 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 69.04 87.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.26 1.35 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.695 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.32 91.42 19.51 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -92.02 15.36 1.62 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.294 2.662 . . . . 0.0 112.893 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.88 -36.87 78.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -100.2 93.2 5.58 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.0 m -131.49 -49.51 0.98 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.523 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.68 76.59 9.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.51 -59.2 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.275 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp 55.16 45.27 26.31 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.755 0.788 . . . . 0.0 109.035 -173.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.66 -32.46 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.139 -170.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -142.83 125.03 15.4 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.404 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.37 108.32 17.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.985 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.31 -51.19 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.363 0.601 . . . . 0.0 110.968 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.8 -44.06 1.37 Allowed Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' HG2' ' A' ' 126' ' ' GLU . 63.5 ttt180 -80.61 -32.66 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 109.617 173.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HA ' ' HB ' ' A' ' 122' ' ' VAL . 5.0 p80 -153.62 173.77 15.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.104 174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.13 44.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.017 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 98.0 mttt -98.87 100.55 11.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.861 0.362 . . . . 0.0 111.387 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 27' ' ' GLN . 34.4 t -88.92 85.43 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 173.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.78 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.05 -173.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 20.7 tt0 -130.22 -7.67 4.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.55 . . . . 0.0 109.959 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 44.3 mt-30 -83.4 105.0 13.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.5 102.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.26 154.7 19.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -137.35 35.8 2.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.014 0.435 . . . . 0.0 111.105 -175.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.754 ' HG2' ' H ' ' A' ' 32' ' ' SER . 25.7 tt0 -148.84 -163.6 1.82 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.754 ' H ' ' HG2' ' A' ' 31' ' ' GLN . 17.7 t -94.23 138.0 32.75 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 40' ' ' LEU . 31.5 p90 -146.52 147.79 31.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.205 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.3 mt -101.19 117.21 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.22 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD13 HD13 ' A' ' 40' ' ' LEU . 54.6 tp -105.32 118.45 36.58 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -119.59 161.24 38.61 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.978 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.48 51.37 1.44 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.15 2.567 . . . . 0.0 112.306 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.99 -49.33 0.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.9 169.71 23.72 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.967 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 33' ' ' PHE . 67.7 tp -98.8 110.1 22.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 45.6 t -88.82 103.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.105 0.479 . . . . 0.0 110.916 -176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -100.35 -160.43 0.8 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.657 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.8 m170 62.99 43.47 6.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.589 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -126.79 92.14 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.251 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.35 84.8 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.036 2.491 . . . . 0.0 112.753 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.6 t -135.39 98.27 12.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.708 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 51' ' ' GLN . 24.2 Cg_exo -64.87 162.33 32.59 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.574 2.183 . . . . 0.0 111.349 171.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -54.03 103.27 0.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.744 0.418 . . . . 0.0 111.521 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 77' ' ' GLN . 74.8 mt 58.43 19.82 6.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.739 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.42 -80.49 1.41 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.095 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.614 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 56.5 mt-30 -91.78 23.32 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.965 0.412 . . . . 0.0 110.475 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -75.77 82.01 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -125.12 159.98 56.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.994 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.85 -27.38 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.841 2.361 . . . . 0.0 112.413 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.07 82.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -77.33 -30.2 53.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.544 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 15.5 tpt -71.34 -25.11 62.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.266 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 t70 -59.87 -31.56 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -64.43 -44.01 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.34 175.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 65' ' ' PRO . 23.1 t -67.23 -36.86 77.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.777 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 57' ' ' MET . 87.1 mt -60.77 -39.73 89.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.645 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.85 69.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 89.2 mt -69.29 -16.57 63.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.89 81.17 0.23 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.018 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HG3' HG12 ' A' ' 60' ' ' VAL . 56.6 Cg_endo -95.21 129.1 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 123.017 2.478 . . . . 0.0 111.842 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.02 32.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -133.13 138.14 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.398 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 94' ' ' LEU . 8.1 tt -128.8 124.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.453 0.644 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 95' ' ' GLU . 79.9 mt -102.09 113.83 27.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.831 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HG ' HG23 ' A' ' 72' ' ' THR . 38.8 tp -94.9 99.83 11.8 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.52 91.97 1.72 Allowed Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 70' ' ' LEU . 34.8 p -83.65 51.32 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.72 -131.87 31.67 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.679 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.49 -59.91 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.793 0.33 . . . . 0.0 110.503 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -84.47 141.55 30.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.1 114.25 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.509 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.796 ' HB3' HD11 ' A' ' 49' ' ' LEU . 43.7 mt-30 -121.09 165.31 15.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.937 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 40.3 p90 -139.22 151.64 67.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.578 0.228 . . . . 0.0 111.27 -174.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.5 Cg_exo -80.61 176.97 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.313 2.675 . . . . 0.0 112.344 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.5 m -80.17 169.18 18.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 p -64.47 -36.02 82.81 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -172.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.83 -30.33 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.81 -38.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.767 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.461 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.35 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.548 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.81 -29.92 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.306 0.574 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.8 m -83.25 -39.89 20.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.277 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.88 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.435 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.4 p -64.16 -30.65 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.103 -176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -95.43 -8.33 35.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 0.0 111.163 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.02 40.35 43.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.32 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.425 HG22 HG22 ' A' ' 68' ' ' ILE . 62.1 mt -92.15 125.46 44.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.605 0.24 . . . . 0.0 110.365 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.77 95.9 0.73 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.21 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 68' ' ' ILE . 57.7 tp -93.56 116.56 29.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HB2' HD23 ' A' ' 69' ' ' LEU . 27.6 mt-10 -120.21 118.45 30.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.723 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.73 117.44 23.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.5 mmm -132.01 171.23 13.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.933 0.397 . . . . 0.0 110.901 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -81.93 153.29 26.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -56.36 -49.1 75.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.84 0.352 . . . . 0.0 111.225 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.75 95.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.144 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.25 -40.16 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.531 0.205 . . . . 0.0 111.37 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.19 76.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.4 82.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.093 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -69.68 -41.22 75.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.414 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -65.5 -41.53 93.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.87 -41.94 88.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -51.54 -43.02 62.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.11 -52.35 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.493 HD22 ' HD2' ' A' ' 114' ' ' ARG . 83.7 mt -64.28 -37.09 86.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.904 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.79 -26.05 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.317 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -76.54 -18.32 58.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -92.47 -19.24 22.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 110.05 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.67 7.56 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.321 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD2' HD22 ' A' ' 109' ' ' LEU . 91.7 mtt180 -86.66 168.63 13.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.029 0.442 . . . . 0.0 111.054 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 115' ' ' ARG . 66.8 mtt85 -90.97 72.37 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.454 0.645 . . . . 0.0 109.558 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.6 p -104.83 125.51 59.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.726 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -100.2 106.44 18.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.674 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 tp -87.39 98.25 11.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.05 94.15 8.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 tpt -95.3 110.87 22.81 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.671 -171.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.9 mt -104.06 122.02 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.599 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' ' 21' ' ' HIS . 6.6 m -129.08 112.41 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 111.302 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.02 179.55 18.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.326 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.76 -80.11 0.32 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.728 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.47 31.06 5.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.179 0.514 . . . . 0.0 110.511 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.593 ' HG2' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -110.48 3.81 19.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.605 -177.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -87.57 162.77 16.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -135.77 123.27 22.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.619 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -74.2 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.797 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.7 t60 63.1 98.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.704 0.627 . . . . 0.0 110.942 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -75.04 128.66 36.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.186 174.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.64 0.257 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.55 150.35 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.829 2.353 . . . . 0.0 111.953 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 6' ' ' GLU . 88.3 mt -96.94 -75.74 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.261 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.9 m120 70.62 -61.7 0.46 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.205 0.602 . . . . 0.0 111.341 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -83.71 41.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 109.808 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 9.9 pt-20 -88.33 23.71 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.921 -176.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 54.1 t60 -74.09 -50.36 5.24 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.178 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 3.0 Cg_exo -82.52 172.91 11.0 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.284 1.989 . . . . 0.0 111.646 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.19 175.73 10.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 111.251 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.32 83.99 1.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.485 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.551 HG22 ' H ' ' A' ' 12' ' ' TYR . 6.4 m 68.8 174.32 0.29 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.37 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' H ' HG22 ' A' ' 11' ' ' THR . 50.3 m-85 -139.21 105.37 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.68 -0.637 . . . . 0.0 110.807 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.69 142.25 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.675 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -82.27 119.38 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.022 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -81.63 -65.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.76 38.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.431 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -120.58 135.35 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.336 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 8.9 t70 -113.04 -36.31 5.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.092 0.472 . . . . 0.0 111.137 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 120.94 -58.98 0.56 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -106.12 6.66 31.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.248 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 71.2 m80 -137.69 140.84 40.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.329 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.8 121.03 20.11 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.649 ' HG2' HG12 ' A' ' 28' ' ' ILE . 96.0 mttt -108.58 107.12 17.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.047 0.451 . . . . 0.0 111.373 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -102.81 120.59 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.37 -82.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.513 0.508 . . . . 0.0 110.12 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.11 7.97 0.82 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.389 170.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -100.26 123.78 44.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.03 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 ' HG2' ' A' ' 23' ' ' LYS . 56.1 mt -84.88 105.27 13.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.3 mt -98.0 99.1 10.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.82 58.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -131.41 -168.42 2.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.662 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -107.53 113.51 26.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -144.92 163.7 33.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.106 0.479 . . . . 0.0 111.38 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 60.4 mt -114.73 117.75 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 65.6 tp -106.17 116.79 32.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.353 0.597 . . . . 0.0 110.477 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 117' ' ' ALA . 79.9 mmm -101.06 163.66 17.55 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -72.28 36.13 0.33 Allowed 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.831 2.354 . . . . 0.0 112.775 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 175.01 -48.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -101.49 155.99 17.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.49 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 tp -137.57 128.86 27.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 56.2 t -98.95 108.93 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -82.28 -22.12 35.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.982 0.42 . . . . 0.0 111.279 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -129.16 105.97 8.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.672 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.0 t90 -118.3 117.89 34.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 9.0 Cg_exo -73.34 47.06 1.28 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.544 2.829 . . . . 0.0 114.215 -172.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.96 79.66 71.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.025 0.44 . . . . 0.0 110.307 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 2.7 Cg_exo -76.4 -13.27 18.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.033 2.489 . . . . 0.0 112.559 -177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -152.02 159.06 43.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.568 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.21 -30.94 70.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.85 -6.57 60.04 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.67 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.481 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 12.3 mm100 -103.95 5.9 35.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.105 0.479 . . . . 0.0 110.241 179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.28 88.29 7.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.558 0.694 . . . . 0.0 110.334 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -109.72 154.31 42.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.407 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.7 -31.54 50.97 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.819 2.346 . . . . 0.0 112.949 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -20.08 64.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.536 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -93.95 -23.94 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.052 0.453 . . . . 0.0 110.335 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.9 tpt -82.77 -16.11 49.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.392 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.72 -46.61 64.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.594 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.35 -39.22 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 t -69.9 -40.26 78.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 109.827 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.4 mt -68.37 -31.37 70.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.87 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.59 76.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 91.0 mt -69.82 -27.27 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.73 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 60.35 78.11 0.34 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.104 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 68' ' ' ILE . 5.5 Cg_endo -89.82 158.88 5.08 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.154 2.569 . . . . 0.0 111.35 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.83 -33.3 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.44 0.638 . . . . 0.0 110.183 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 109' ' ' LEU . 4.1 p -146.14 141.15 21.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.95 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 65' ' ' PRO . 58.0 mt -128.67 123.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.959 0.409 . . . . 0.0 110.298 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -109.08 119.65 40.17 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.02 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 58.8 tp -97.99 116.81 30.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.915 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.98 87.14 0.55 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.841 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 HD12 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -87.97 78.99 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.95 -109.96 0.65 Allowed Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.812 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -130.03 29.46 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.273 0.559 . . . . 0.0 110.224 175.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' A' ' 74' ' ' GLU . 4.7 mmt180 -116.68 111.86 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -97.72 94.48 6.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.476 0.655 . . . . 0.0 109.741 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -129.02 132.71 47.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.486 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 45.0 p90 -74.12 128.38 86.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.6 Cg_exo -76.8 -173.72 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.684 2.256 . . . . 0.0 111.729 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -67.24 144.68 55.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.95 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -61.12 -21.37 63.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.53 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -53.92 -44.03 70.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 110.788 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.29 -37.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.634 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.22 -45.98 65.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.514 -175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.44 91.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.483 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.96 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.01 0.433 . . . . 0.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.45 -47.96 11.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.44 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.73 -38.91 92.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.76 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 p -64.13 -35.86 82.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.702 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -88.85 7.84 32.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.243 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.15 22.92 62.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.607 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.91 116.17 41.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.88 91.13 1.19 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.54 105.35 17.54 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.08 119.82 38.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -85.7 116.04 23.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.715 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.1 mtt -133.25 -171.84 2.79 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.559 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.0 p -86.01 163.84 17.73 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.796 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 27.9 t-20 -55.32 -41.88 73.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.109 0.48 . . . . 0.0 110.35 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -71.86 -36.2 70.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.796 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -73.29 -40.73 64.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.651 0.263 . . . . 0.0 111.01 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.68 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.81 72.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.458 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -63.94 -50.23 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 m -68.87 -35.43 76.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -61.65 -38.16 86.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.74 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.11 -46.4 85.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.19 -42.7 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.421 HD13 HG11 ' A' ' 67' ' ' VAL . 89.7 mt -69.91 -31.47 69.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.076 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.0 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 p -73.19 -12.82 61.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.012 0.435 . . . . 0.0 111.076 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.677 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 2.8 mm-40 -87.1 -23.37 24.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.43 33.79 68.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.063 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.677 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 77.0 mtt180 -97.58 157.69 15.89 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -77.6 89.0 3.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.391 0.615 . . . . 0.0 109.979 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.83 131.75 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.725 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -101.1 107.41 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.697 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 28.0 tp -89.2 93.34 9.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.867 0.365 . . . . 0.0 110.056 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.62 102.66 14.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.815 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.473 ' HE2' HD11 ' A' ' 118' ' ' LEU . 15.9 mmt -104.85 117.72 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.543 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.502 HD12 HG22 ' A' ' 72' ' ' THR . 59.4 mt -99.47 94.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 171.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.24 116.61 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.13 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.39 177.16 46.88 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.043 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.51 109.77 3.82 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.651 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.21 -12.09 36.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.728 0.299 . . . . 0.0 110.588 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 64.59 27.06 13.31 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.65 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -80.39 -9.25 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.121 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -105.59 129.17 53.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.158 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -54.73 112.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.663 0.602 . . . . 0.0 110.935 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -91.24 144.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.758 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.044 179.532 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -38.69 24.86 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.55 2.167 . . . . 0.0 111.576 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -124.68 -173.77 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.647 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.5 m120 64.49 24.87 13.19 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.395 0.435 . . . . 0.0 111.866 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.999 ' HA ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -95.48 3.71 53.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -178.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -96.62 -31.42 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.3 m170 60.61 85.23 0.18 Allowed Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.285 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.03 115.37 3.25 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.762 2.308 . . . . 0.0 112.155 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -98.84 147.82 24.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.351 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.85 112.97 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -70.76 127.43 32.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.411 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.63 117.21 5.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.66 120.76 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.72 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 HG22 ' A' ' 24' ' ' VAL . 69.2 tp -70.41 128.54 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' C ' ' HD3' ' A' ' 15' ' ' ARG . 3.7 tmt_? -104.48 -58.09 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -118.41 133.85 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.0 111.728 -173.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.3 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.092 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.47 -170.54 2.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA2' ' HG3' ' A' ' 74' ' ' GLU . . . -70.76 110.2 3.17 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.271 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 67.48 20.12 9.87 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.331 0.586 . . . . 0.0 110.977 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -154.9 142.79 20.03 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.203 0.525 . . . . 0.0 110.693 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.51 156.96 44.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.583 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 tttm -149.18 109.79 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.648 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.422 HG22 HD13 ' A' ' 14' ' ' LEU . 46.2 t -91.51 99.57 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.592 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.63 -98.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.496 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -109.5 -9.25 14.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.645 0.26 . . . . 0.0 111.105 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -99.39 119.9 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.994 0.426 . . . . 0.0 110.482 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -87.06 123.88 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.11 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.3 121.17 39.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.152 0.501 . . . . 0.0 111.237 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 31.48 6.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.56 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -120.93 -176.22 3.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.446 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -99.64 125.87 45.56 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -146.32 165.58 28.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.682 0.277 . . . . 0.0 110.94 -175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.704 HG13 ' HB ' ' A' ' 41' ' ' VAL . 26.1 pt -122.45 129.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.337 0.589 . . . . 0.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 40' ' ' LEU . 64.8 tp -116.26 135.3 54.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.373 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.8 ttp -136.8 148.81 64.78 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.64 63.04 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.318 2.678 . . . . 0.0 113.814 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.44 -49.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.58 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -155.14 171.27 20.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.945 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 35' ' ' LEU . 59.6 tp -113.54 126.11 54.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.921 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 34' ' ' ILE . 41.7 t -110.06 102.78 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.52 0.1 44.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.328 177.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -84.5 58.64 4.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.621 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -116.84 102.25 53.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.012 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 73.42 4.03 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.204 2.603 . . . . 0.0 112.915 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.56 118.76 14.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.973 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.36 59.08 3.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.204 2.603 . . . . 0.0 111.985 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 m 69.55 -77.37 0.05 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 50' ' ' GLY . 18.6 tp -148.48 173.66 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 49' ' ' LEU . . . 87.73 -55.08 4.4 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.874 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -96.69 25.47 5.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.486 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' HG21 ' A' ' 83' ' ' VAL . 57.4 tp -72.47 117.22 13.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -131.5 151.43 78.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.27 -33.18 74.58 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.32 2.68 . . . . 0.0 113.076 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.1 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 111.033 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -82.48 -28.45 31.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ttt -91.21 -3.22 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.299 0.571 . . . . 0.0 110.083 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.93 -40.88 81.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.287 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.46 -38.57 84.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 34' ' ' ILE . 41.1 t -65.44 -41.4 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.15 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 90' ' ' ARG . 86.1 mt -70.69 -33.74 71.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.5 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.13 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.35 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 ' C ' HD22 ' A' ' 64' ' ' ASN . 99.0 mt -77.66 6.42 7.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.591 HD22 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 29.48 70.55 0.56 Allowed Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.199 1.4 . . . . 0.0 113.915 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.64 169.58 12.05 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.515 2.143 . . . . 0.0 111.677 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.85 -43.1 13.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 8.3 p -143.61 153.0 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.371 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -125.37 123.35 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' A' ' 116' ' ' VAL . 95.5 mt -102.82 123.34 46.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -99.76 105.2 16.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.929 -174.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 95.22 1.63 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -88.78 61.09 5.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.025 0.44 . . . . 0.0 110.55 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.36 10.94 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.301 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.712 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 54.9 mm-40 -132.33 12.96 4.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.303 0.573 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -129.64 119.87 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.97 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.12 109.41 6.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -123.46 153.71 40.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.095 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-85 -77.15 122.48 86.32 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 2.6 Cg_exo -76.07 -179.92 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.846 2.364 . . . . 0.0 112.062 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 83' ' ' VAL . 4.7 m -62.39 140.15 58.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.308 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 t -64.6 -29.19 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.37 -36.88 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.434 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG21 ' HG ' ' A' ' 52' ' ' LEU . 94.0 t -69.52 -40.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.687 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.05 -28.1 69.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.07 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.58 58.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.8 65.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.706 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 18.1 p -72.56 -35.93 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.45 -46.16 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.716 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 p -65.75 -33.29 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD2' HD22 ' A' ' 61' ' ' LEU . 50.2 mtt180 -81.31 -12.69 58.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 111.272 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.55 35.86 50.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.203 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -108.81 125.63 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.92 129.34 29.69 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.2 tp -122.81 115.86 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -113.76 113.26 24.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.892 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -82.78 122.42 28.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.096 176.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtm -147.92 -171.76 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.125 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 p -91.06 155.3 18.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.313 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.62 -41.3 97.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.22 67.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.705 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.7 -44.15 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.665 0.269 . . . . 0.0 111.312 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.4 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.535 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.82 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.308 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -75.94 -47.39 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.221 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 56.4 m -62.81 -34.94 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -55.87 -50.46 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -61.16 -37.01 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.59 -54.37 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 114' ' ' ARG . 92.0 mt -64.43 -43.37 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.4 75.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.4 m -71.75 -31.61 66.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.414 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.63 -38.11 62.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.546 0.689 . . . . 0.0 109.347 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.2 0.39 11.47 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.633 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 6.5 mmp_? -71.26 88.59 0.85 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.15 104.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.814 0.816 . . . . 0.0 111.164 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.5 p -111.76 136.01 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.763 -176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.59 109.37 19.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.671 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 50.4 tp -87.41 94.29 9.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.167 -177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.5 94.74 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.711 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.671 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 82.8 mtp -95.78 109.63 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.296 0.57 . . . . 0.0 110.874 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 81.6 mt -92.76 98.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.371 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.28 127.8 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.383 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.48 -176.09 47.79 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.761 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.05 135.16 1.76 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 mp -85.27 88.8 7.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.646 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.05 156.76 37.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.734 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -118.59 177.51 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.625 0.25 . . . . 0.0 110.96 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 t60 58.88 48.98 10.38 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.479 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -66.1 118.66 10.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.925 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 38.53 77.82 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.412 1.07 . . . . 0.0 112.632 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -63.57 119.29 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.476 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.298 177.315 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 119.696 -0.193 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.5 120.13 6.54 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 167.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.51 126.96 34.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.79 0.329 . . . . 0.0 110.835 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.65 155.89 21.78 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.93 110.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.047 0.451 . . . . 0.0 110.538 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -93.19 125.68 37.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.3 0.572 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 12.7 p80 -128.86 142.03 43.69 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.145 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 17.1 Cg_exo -67.37 77.43 0.48 Allowed 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.209 2.606 . . . . 0.0 113.057 -175.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER 62.11 -92.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.269 177.045 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 p90 -156.22 167.68 29.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.495 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p -96.35 156.29 16.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.957 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -92.32 106.67 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.13 112.43 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.617 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -73.0 -51.01 19.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.228 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.6 137.06 0.6 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.699 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.16 132.07 54.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -114.18 25.23 11.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.067 0.46 . . . . 0.0 111.319 -175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -103.86 1.44 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.681 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' ' HA3' ' A' ' 124' ' ' GLY . 33.3 ptt-85 -82.14 14.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.226 0.536 . . . . 0.0 110.191 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -148.5 144.58 27.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.767 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.57 163.27 32.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.007 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -136.07 104.69 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.329 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.68 107.72 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 59.79 -87.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.591 0.557 . . . . 0.0 110.329 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.72 10.4 1.6 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.347 0.594 . . . . 0.0 110.176 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -93.32 103.55 15.78 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.962 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.0 87.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.876 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.12 127.01 32.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.987 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' HA ' HG11 ' A' ' 122' ' ' VAL . 32.1 mt-30 -114.64 34.48 4.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.386 0.612 . . . . 0.0 110.679 -175.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -151.18 -171.06 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.243 176.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.534 ' HB2' ' H ' ' A' ' 46' ' ' VAL . 27.9 m -73.82 138.14 44.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.574 0.225 . . . . 0.0 110.805 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -153.03 159.66 42.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.146 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 27.2 mt -112.23 117.86 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.748 0.309 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 tp -105.1 121.27 43.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.786 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.922 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 82.8 mtp -134.79 151.83 76.41 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.94 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.91 41.89 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.991 2.46 . . . . 0.0 110.115 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.0 t70 -147.24 -52.22 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.672 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.99 175.38 11.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.977 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -115.86 113.74 23.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.054 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 21.1 t -100.47 87.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.68 -8.91 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.576 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -94.63 44.0 1.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 110.6 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -131.16 66.45 78.9 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HB3' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -87.53 90.63 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 122.724 2.282 . . . . 0.0 113.324 -169.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.534 ' H ' ' HB2' ' A' ' 32' ' ' SER . 62.7 t -80.5 116.91 65.14 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.04 -55.35 2.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.043 2.496 . . . . 0.0 113.056 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 m -157.88 178.47 10.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.757 0.313 . . . . 0.0 110.485 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' HB ' ' A' ' 72' ' ' THR . 96.0 mt -90.65 25.58 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.952 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.02 -12.56 84.54 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -142.13 -75.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.432 0.293 . . . . 0.0 110.627 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 tp 57.09 88.3 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.69 0.757 . . . . 0.0 110.324 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -84.03 124.9 73.92 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.312 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.33 -27.33 74.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 111.207 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.89 -9.33 58.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -102.46 -17.33 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.8 mtp -84.62 4.18 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -62.32 -33.08 73.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.758 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.58 -40.94 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.39 -27.04 65.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.77 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.7 61.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.82 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.52 -35.78 75.8 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.24 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 t30 50.63 85.78 0.17 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.809 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.8 173.38 12.95 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.67 2.247 . . . . 0.0 111.998 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.52 -35.48 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.062 0.458 . . . . 0.0 110.019 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -150.73 149.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.04 135.4 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.39 0.614 . . . . 0.0 111.428 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 109' ' ' LEU . 82.1 mt -111.6 128.81 56.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.273 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.0 tp -108.33 114.03 27.58 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.5 105.5 2.16 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 49' ' ' LEU . 58.5 p -93.86 72.63 4.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 55.09 -134.44 48.15 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.266 -0.493 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 2.9 tp10 -110.04 22.7 15.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -128.55 96.27 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.643 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.8 98.97 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.268 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -98.54 146.95 25.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.6 m-85 -89.87 116.84 67.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 24.2 Cg_exo -63.44 155.32 63.09 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.102 2.534 . . . . 0.0 112.773 -175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m -62.53 153.73 30.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.645 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -62.33 -30.94 71.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.4 -42.2 81.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.297 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.16 -43.75 88.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.276 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.55 -47.26 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.66 96.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.5 87.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.11 -40.01 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.02 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.5 -32.94 70.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -75.92 -29.39 58.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.087 0.47 . . . . 0.0 110.529 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD2' ' HA ' ' A' ' 90' ' ' ARG . 16.1 tpt180 -81.78 -20.65 38.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.119 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.59 33.33 13.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.383 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.88 128.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.567 0.222 . . . . 0.0 110.68 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.58 130.65 18.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.955 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.7 tp -111.17 125.86 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 0.0 111.213 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -108.54 119.92 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.895 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.43 112.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 65.9 mtt -144.44 -171.13 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.2 p -93.33 171.41 8.94 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 80.7 m-20 -61.21 -36.53 80.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.84 -43.03 63.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.76 -42.13 70.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.068 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.93 77.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.6 91.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.139 0.495 . . . . 0.0 110.643 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -64.06 -47.91 78.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.7 m -66.4 -36.49 82.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.968 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.42 -37.7 88.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.27 -43.39 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.848 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.85 -52.18 52.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 69' ' ' LEU . 85.1 mt -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.458 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.8 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.792 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -74.49 -33.86 62.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.502 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.16 -22.58 63.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.56 21.53 61.85 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.893 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -86.7 138.49 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 115' ' ' ARG . 24.8 ttt180 -69.1 88.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.574 0.702 . . . . 0.0 110.442 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 4.2 p -105.77 137.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.641 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.922 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -100.27 105.09 16.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.077 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' A' ' 120' ' ' MET . 61.2 tp -87.71 95.43 10.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.012 0.434 . . . . 0.0 109.951 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.83 97.21 9.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.939 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.578 ' HG3' ' HG ' ' A' ' 118' ' ' LEU . 84.3 mtp -95.19 111.67 23.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.198 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 74.4 mt -93.69 102.45 13.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.712 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 30' ' ' GLN . 58.8 t -88.21 101.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.337 0.589 . . . . 0.0 109.558 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.13 89.44 0.23 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.375 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' A' ' 20' ' ' ARG . . . -124.97 44.24 1.29 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.059 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.789 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -84.22 3.09 36.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 111.07 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.41 -42.15 95.39 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -134.86 81.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.64 170.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 125' ' ' LEU . 80.8 t60 -154.33 58.95 0.7 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.723 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 48.17 -111.38 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.692 -174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 62.29 19.03 10.71 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.282 0.563 . . . . 0.0 110.956 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -102.86 86.32 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.645 175.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.768 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.916 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . 2.3 Cg_endo -81.79 121.33 3.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.211 2.607 . . . . 0.0 112.535 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.01 -4.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.469 0.652 . . . . 0.0 109.788 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -141.95 92.53 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 57.81 -94.36 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.731 0.644 . . . . 0.0 109.544 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.916 ' HA ' ' HB3' ' A' ' 2' ' ' PRO . 44.7 mt-10 -137.21 126.69 25.07 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -142.58 82.79 12.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.984 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -99.37 110.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 123.33 2.686 . . . . 0.0 111.185 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.69 131.18 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.238 0.542 . . . . 0.0 109.861 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.16 80.66 3.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' ASN . 11.9 p -114.6 -79.88 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.92 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' HA ' ' HB2' ' A' ' 25' ' ' ASN . 44.1 m-85 -74.98 82.3 2.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.267 0.556 . . . . 0.0 111.318 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.52 168.46 24.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.126 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.42 90.9 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.458 . . . . 0.0 109.945 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -79.44 -18.13 52.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.955 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . . . -155.71 122.22 5.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.384 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.24 127.64 55.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.638 -176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.71 163.74 28.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.77 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -82.54 -12.9 79.52 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.981 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -129.14 -1.84 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 111.407 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -141.72 165.17 28.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.2 117.28 3.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.427 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 67.2 mttm -95.67 95.42 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.0 110.523 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -95.45 104.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' THR . 35.0 t30 69.5 -75.8 0.07 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.769 0.668 . . . . 0.0 111.068 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -150.16 9.41 0.66 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.545 0.688 . . . . 0.0 110.038 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -116.69 129.5 56.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.477 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -90.82 96.66 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.16 0.505 . . . . 0.0 110.024 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -95.53 95.59 8.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.605 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -108.23 31.8 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.206 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -125.17 -98.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.19 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 120' ' ' MET . 29.6 m -153.31 136.44 15.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -156.96 159.7 38.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 36.2 mt -111.63 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.521 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 40' ' ' LEU . 62.4 tp -105.47 118.56 36.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.089 0.471 . . . . 0.0 110.226 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.652 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 60.5 mtp -127.46 163.75 40.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.575 177.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 111.14 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.157 1.904 . . . . 0.0 112.342 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 78.9 -12.0 1.14 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.582 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -129.66 133.31 47.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.751 -0.593 . . . . 0.0 111.255 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 HD13 ' A' ' 35' ' ' LEU . 63.0 tp -124.26 129.73 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.851 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 29.0 t -105.82 98.3 6.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -84.63 -33.39 23.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.962 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -91.42 81.79 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' SER . 19.4 t90 -140.97 85.27 12.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.43 121.87 7.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.099 2.532 . . . . 0.0 113.522 -172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -134.8 103.9 10.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.081 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.71 -69.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.554 2.17 . . . . 0.0 112.551 -177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 m -157.35 74.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt 54.06 -152.7 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.735 -172.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.51 -63.46 3.96 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.248 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -81.86 5.84 17.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.127 0.489 . . . . 0.0 110.343 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.9 89.61 4.1 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 109.626 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -131.99 161.6 61.66 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.258 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.88 -39.97 48.81 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.901 2.4 . . . . 0.0 113.075 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.83 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 111.598 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -93.44 -23.21 18.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 109.912 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -90.41 -0.67 57.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.1 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.22 -38.68 63.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.717 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.02 -45.51 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 111.02 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 34' ' ' ILE . 24.5 t -67.37 -42.25 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.99 -39.0 93.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.326 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.99 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.429 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 92.7 mt -77.11 -25.59 52.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.954 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 51.51 71.71 1.43 Allowed Pre-proline 0 N--CA 1.469 0.512 0 O-C-N 123.72 0.638 . . . . 0.0 111.926 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 92' ' ' ILE . 94.1 Cg_endo -81.85 166.26 17.18 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.369 2.046 . . . . 0.0 111.957 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -27.06 22.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.329 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.2 p -156.72 141.58 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.92 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.4 mt -111.76 132.96 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.859 0.361 . . . . 0.0 110.587 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 95' ' ' GLU . 83.0 mt -111.06 120.7 43.22 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -103.76 115.31 30.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 97' ' ' MET . . . -117.53 102.48 1.0 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.907 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 77' ' ' GLN . 31.9 p -89.93 66.49 6.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 0.0 111.462 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.439 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 45.82 -114.45 1.32 Allowed Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 114.164 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.77 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 21.2 tt0 -106.52 -15.07 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.296 0.569 . . . . 0.0 110.119 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -107.41 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.162 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -65.35 109.11 2.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.604 ' HB2' HG21 ' A' ' 72' ' ' THR . 47.6 mt-30 -116.47 154.98 29.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.1 m-85 -110.82 138.76 21.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.546 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 15.6 Cg_exo -68.0 150.13 77.66 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.899 2.399 . . . . 0.0 111.836 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 83' ' ' VAL . 48.2 t -62.99 137.93 58.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.1 t -61.0 -25.97 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.84 -30.98 68.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 109.981 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 80' ' ' SER . 27.2 t -79.06 -32.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.15 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 81' ' ' THR . 90.4 mt -59.66 -36.31 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.989 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.36 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.57 -45.12 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.097 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.6 t -66.55 -36.1 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.219 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.66 -43.86 95.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 p -70.75 -7.29 43.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.957 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -103.65 -13.97 16.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.815 0.34 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.26 31.39 63.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.501 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.509 HD13 ' HD2' ' A' ' 65' ' ' PRO . 47.3 mt -103.28 135.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.596 0.236 . . . . 0.0 110.441 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 149.93 37.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.9 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.7 tp -141.53 105.09 4.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.938 0.399 . . . . 0.0 110.475 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.456 ' HB2' HD23 ' A' ' 69' ' ' LEU . 31.1 mm-40 -101.77 122.15 43.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.94 117.84 35.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.436 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 69.2 mtm -145.99 -168.94 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -89.06 171.84 9.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.03 -51.01 71.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.004 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.95 82.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.46 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.46 72.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.193 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 0.0 110.659 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.76 -46.06 86.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 m -65.13 -38.0 89.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.31 -43.98 83.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.651 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.452 HD22 ' C ' ' A' ' 107' ' ' ASN . 0.2 OUTLIER -58.04 -43.22 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.53 -50.07 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.06 -32.04 73.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.566 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.8 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 110.902 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 p -83.63 -10.58 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.039 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -83.22 -38.44 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 42.52 2.4 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.501 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 114' ' ' ARG . 37.3 ttm180 -128.75 128.27 43.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -68.65 99.59 1.02 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.547 0.689 . . . . 0.0 111.015 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 3.0 p -99.96 128.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.493 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -92.46 101.64 14.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.488 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD11 ' HE1' ' A' ' 120' ' ' MET . 34.5 tp -87.66 94.71 9.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.061 0.458 . . . . 0.0 109.952 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 70' ' ' LEU . . . -92.92 102.84 15.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.011 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.561 ' HE1' HD11 ' A' ' 118' ' ' LEU . 19.2 mmt -98.7 121.68 40.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.973 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.7 mt -112.84 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.439 HG12 ' HA2' ' A' ' 73' ' ' GLY . 13.1 m -128.82 140.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.91 84.84 0.88 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.387 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.47 -55.37 30.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.427 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.42 141.64 50.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -91.2 -82.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.696 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 50.59 56.41 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.402 0.439 . . . . 0.0 110.114 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.05 97.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.813 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.01 156.17 44.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.062 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -104.11 110.24 22.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 0.0 110.598 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.67 -10.84 50.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.423 176.496 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.557 0.217 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.6 155.81 40.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.746 2.297 . . . . 0.0 111.229 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' GLN . 86.6 mt -80.15 -24.68 40.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.757 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 71.76 -36.28 0.36 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.584 0.754 . . . . 0.0 112.06 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' LEU . 10.7 pt20 -70.16 1.63 4.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.767 0.427 . . . . 0.0 112.048 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.94 -54.94 19.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 110.724 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -128.8 85.68 59.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 111.134 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.74 168.97 22.63 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.186 2.591 . . . . 0.0 111.632 175.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 64.98 90.27 0.09 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.561 0.538 . . . . 0.0 110.984 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -83.81 139.2 32.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.718 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -130.06 143.98 51.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.153 0.501 . . . . 0.0 111.514 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 7.4 p90 -127.22 89.13 2.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.197 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.71 135.66 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.568 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.79 97.24 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.34 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -13.84 59.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.222 0.534 . . . . 0.0 110.32 -177.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -149.29 114.54 5.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.242 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.15 108.26 15.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.63 ' OD2' ' HD3' ' A' ' 20' ' ' ARG . 20.3 t70 -143.74 170.82 15.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.021 -176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.97 -31.13 60.28 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.172 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.63 ' HD3' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -120.44 7.28 10.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.072 0.436 . . . . 0.0 110.546 -178.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -146.47 140.74 26.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.264 0.554 . . . . 0.0 111.1 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -146.85 156.51 43.16 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.629 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -151.43 102.76 2.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.755 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.26 87.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 12' ' ' TYR . 87.9 m-20 65.0 -66.9 0.13 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.919 0.762 . . . . 0.0 111.488 -172.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -124.66 -54.21 1.66 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.271 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.495 HE21 HD21 ' A' ' 29' ' ' LEU . 22.5 tt0 -79.33 130.55 35.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.048 -167.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' ALA . 75.6 mt -88.61 105.21 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.106 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 HD21 HE21 ' A' ' 27' ' ' GLN . 97.1 mt -87.09 95.0 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.188 0.518 . . . . 0.0 110.287 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -85.69 44.63 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.542 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.77 179.1 7.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 120' ' ' MET . 23.2 t -87.09 105.1 16.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -110.88 156.93 20.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.155 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 61.0 mt -98.62 113.84 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.063 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 55.8 tp -105.27 115.5 30.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.309 0.576 . . . . 0.0 110.115 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.8 mtp -111.95 146.9 35.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.077 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.06 49.91 1.72 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.744 2.296 . . . . 0.0 112.351 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -172.92 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.324 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -140.06 148.2 41.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.19 109.46 21.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.029 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 55.9 t -99.23 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.245 0.545 . . . . 0.0 110.878 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.3 -172.31 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 68.54 46.55 0.99 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' SER . 5.2 t90 -110.95 113.73 54.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.65 59.65 5.68 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.977 2.451 . . . . 0.0 113.67 -173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 32' ' ' SER . 84.7 t -123.5 104.31 34.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -83.01 -52.48 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.157 2.571 . . . . 0.0 111.897 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.6 m -119.0 166.35 12.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.164 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD23 ' HG3' ' A' ' 77' ' ' GLN . 42.8 tp -68.92 -20.84 64.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.945 0.402 . . . . 0.0 110.797 -177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.54 -3.86 42.63 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.501 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -92.21 -8.94 44.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.038 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HG21 ' A' ' 83' ' ' VAL . 50.4 tp -68.69 107.99 3.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.364 0.602 . . . . 0.0 110.613 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 35.1 tt0 -145.37 144.26 22.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.408 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD3' HG22 ' A' ' 83' ' ' VAL . 78.6 Cg_exo -43.17 -42.47 9.88 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.458 2.772 . . . . 0.0 113.905 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.58 66.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -100.67 -9.03 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.675 0.274 . . . . 0.0 111.202 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttt -93.38 -5.39 49.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -53.97 -42.22 68.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.012 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -60.31 -39.2 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.016 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -68.65 -41.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.073 0.463 . . . . 0.0 110.093 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.34 -33.46 75.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.588 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.81 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.7 mt -68.78 -30.23 68.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.445 177.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 62.92 83.5 0.2 Allowed Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.43 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.716 ' HG2' HD11 ' A' ' 68' ' ' ILE . 41.5 Cg_endo -97.26 157.19 1.04 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.264 2.643 . . . . 0.0 112.283 174.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.25 -37.31 16.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.298 0.57 . . . . 0.0 109.677 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.17 137.98 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.541 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 65' ' ' PRO . 4.3 mp -110.09 124.89 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.428 . . . . 0.0 110.148 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.89 109.17 21.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -93.78 103.13 15.28 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.555 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.99 100.59 2.69 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 HG21 HD22 ' A' ' 49' ' ' LEU . 21.1 p -85.85 63.71 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.597 0.237 . . . . 0.0 111.573 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 48.07 -122.4 8.21 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.255 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -131.43 70.58 1.47 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -170.65 103.06 0.25 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.735 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.62 97.39 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.319 -173.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HG3' HD23 ' A' ' 49' ' ' LEU . 60.8 tp60 -117.27 140.15 49.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.637 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 71.1 m-85 -89.59 140.93 28.27 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.134 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 13.1 Cg_exo -69.31 165.49 30.29 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.918 2.412 . . . . 0.0 112.856 -176.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 83' ' ' VAL . 6.1 m -58.56 132.9 55.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.526 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 84' ' ' LEU . 6.6 p -60.41 -38.07 82.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.831 -175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.55 -37.54 86.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 80' ' ' SER . 89.1 t -70.28 -34.01 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.6 mt -61.16 -39.58 90.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.285 177.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.18 75.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.052 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' THR . . . -66.22 -34.01 77.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.81 -36.37 31.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 0.0 110.07 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.67 -36.8 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.378 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' ALA . 5.9 t -63.11 -16.61 60.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -124.2 -1.3 8.22 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.24 41.49 68.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.811 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.9 mt -88.89 135.5 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.25 132.02 15.93 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.288 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.5 tp -141.62 98.31 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -100.74 116.85 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.629 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.65 104.45 16.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 110.103 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mtp -131.81 -173.52 3.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.01 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -95.97 161.79 13.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 94.5 m-20 -59.11 -43.03 91.87 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.1 65.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.35 . . . . 0.0 111.42 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.66 -39.77 13.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.354 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.96 83.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.36 69.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -69.31 -43.96 72.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 m -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.299 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.41 -45.91 87.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -58.79 -38.3 78.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.24 -49.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.575 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.02 -34.95 78.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.364 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.706 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -72.75 -30.8 64.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.562 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -69.75 -27.88 65.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 30.81 41.84 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.526 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -100.67 141.46 33.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 65' ' ' PRO . 3.2 tpp180 -71.9 93.24 1.32 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.774 0.797 . . . . 0.0 111.065 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.33 138.25 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.337 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 68' ' ' ILE . . . -110.38 110.3 21.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 64.4 tp -87.45 105.52 17.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.214 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.74 89.47 7.96 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.621 ' O ' ' HA ' ' A' ' 32' ' ' SER . 7.2 tpt -86.89 96.23 10.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.002 -174.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.421 HG12 ' OG ' ' A' ' 32' ' ' SER . 52.8 mt -85.07 102.98 11.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.763 0.316 . . . . 0.0 110.154 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.2 t -110.26 129.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.11 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.67 -130.59 10.25 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.824 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.56 -67.29 0.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.824 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.2 tp -83.72 161.2 21.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.599 0.238 . . . . 0.0 110.422 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 2.1 mp0 -55.65 147.23 18.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -91.82 151.54 20.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -78.91 78.71 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 67.32 -70.53 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.623 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.7 -86.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -169.88 15.57 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.953 0.406 . . . . 0.0 110.535 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.573 176.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.28 -22.06 34.82 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.652 2.235 . . . . 0.0 111.785 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.3 mt -126.06 -176.74 3.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.125 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.67 -176.54 6.27 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.61 117.02 8.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.296 0.569 . . . . 0.0 110.626 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 9.8 tp10 -84.6 171.03 12.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.686 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 58.9 t-80 81.81 87.97 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.204 0 O-C-N 124.131 0.895 . . . . 0.0 111.871 175.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.44 114.99 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.165 1.91 . . . . 0.0 110.578 168.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.3 145.87 36.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.234 0.54 . . . . 0.0 112.014 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -85.69 5.97 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.606 -172.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -68.37 125.05 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.19 111.64 2.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.498 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.8 106.19 10.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.378 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.09 110.88 22.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.834 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -115.88 -53.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.872 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -84.13 108.12 16.86 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.009 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.61 108.3 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.761 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.51 157.81 32.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.66 -22.98 70.33 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.299 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -110.82 -12.43 14.28 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.252 0.221 . . . . 0.0 111.231 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -140.1 133.53 30.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.137 -0.352 . . . . 0.0 111.098 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.05 115.56 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 171.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 tttp -105.61 107.38 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.52 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.37 -75.75 0.05 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.758 0.661 . . . . 0.0 110.669 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -129.37 -43.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.436 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.92 126.86 30.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -99.99 105.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.054 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -91.56 132.23 36.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HA ' HG11 ' A' ' 122' ' ' VAL . 46.3 mt-30 -125.94 31.58 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.342 0.591 . . . . 0.0 110.607 -176.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -134.92 -161.18 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.416 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' VAL . 12.6 m -95.67 120.95 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 0.0 110.683 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.15 170.31 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 16.7 mt -121.45 122.9 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.489 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 40' ' ' LEU . 64.1 tp -110.98 130.3 55.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.995 0.426 . . . . 0.0 110.767 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.3 mtt -134.83 156.31 78.64 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.366 174.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.29 1.86 4.38 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 112.368 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -105.5 -51.89 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.189 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.59 168.15 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.231 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 35' ' ' LEU . 56.2 tp -111.56 123.91 51.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 39.7 t -85.43 94.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.39 -29.74 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -101.44 89.57 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.643 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t90 -122.05 123.32 27.33 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.4 Cg_exo -70.55 35.18 0.25 Allowed 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 123.754 2.969 . . . . 0.0 113.93 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' SER . 59.3 t -128.45 102.93 20.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.99 -46.63 2.23 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.413 2.076 . . . . 0.0 111.404 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.3 p -144.62 165.15 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.386 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 77' ' ' GLN . 58.0 tp -64.1 -13.18 45.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.526 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.39 -22.55 65.66 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 113.777 -175.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.71 31.31 5.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.334 0.567 . . . . 0.0 111.507 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 79' ' ' PRO . 41.5 tp -74.53 114.5 13.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.446 0.641 . . . . 0.0 110.517 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -140.18 162.97 47.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.584 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.89 -36.65 34.68 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.064 2.509 . . . . 0.0 113.268 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.08 31.74 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -118.0 -18.52 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.296 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.51 ' HG2' HG13 ' A' ' 83' ' ' VAL . 15.2 tpt -92.72 -16.01 25.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.931 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.05 -43.51 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.482 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.82 -39.76 82.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.79 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 110.183 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 mt -77.49 -33.2 54.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.18 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.9 mt -70.03 -7.76 43.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.427 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 61.71 77.77 0.34 Allowed Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 123.345 0.658 . . . . 0.0 112.183 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 65.7 Cg_endo -99.41 162.51 0.57 Allowed 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.426 2.75 . . . . 0.0 112.248 172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.49 -37.12 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.455 0.645 . . . . 0.0 109.626 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 p -139.58 134.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.713 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' A' ' 117' ' ' ALA . 67.6 mt -115.16 122.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.387 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 109' ' ' LEU . 95.4 mt -95.15 106.47 18.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.44 106.64 18.91 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.145 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' HB ' ' A' ' 121' ' ' ILE . . . -90.55 124.95 7.73 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -106.27 31.23 5.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.147 0.499 . . . . 0.0 111.176 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.534 ' HA2' ' ND2' ' A' ' 99' ' ' ASN . . . 64.19 -99.95 0.36 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.438 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.754 ' HB2' HH11 ' A' ' 75' ' ' ARG . 34.5 mt-10 -128.65 -12.29 4.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.0 110.369 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.754 HH11 ' HB2' ' A' ' 74' ' ' GLU . 3.2 mpt_? -96.8 118.19 32.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.75 -173.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -79.19 94.82 5.47 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.734 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' HD23 ' A' ' 49' ' ' LEU . 53.2 mt-30 -126.63 151.21 48.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.726 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.7 m-85 -113.97 138.05 22.64 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.446 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 14.0 Cg_exo -69.36 173.36 10.72 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.709 2.273 . . . . 0.0 111.922 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.1 p -62.6 150.37 40.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.718 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -57.53 -27.9 63.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.59 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.88 -41.68 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.842 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 57' ' ' MET . 89.6 t -67.73 -42.1 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.263 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 80.5 mt -61.0 -48.45 81.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.723 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.89 82.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.4 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 92' ' ' ILE . 49.0 t -87.65 -39.96 14.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.438 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 90.9 mt -65.89 -38.78 89.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.567 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.6 p -61.78 -31.1 71.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.044 0.449 . . . . 0.0 111.249 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -86.52 -2.42 58.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.37 31.19 79.6 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.546 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.476 ' HB ' ' SG ' ' A' ' 87' ' ' CYS . 60.5 mt -93.86 131.84 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.677 0.275 . . . . 0.0 110.264 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.89 110.3 3.01 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.945 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.34 106.44 17.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -99.49 108.5 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.139 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 111.8 23.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.776 0.322 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.7 mtm -143.43 176.76 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.2 p -82.96 165.96 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.534 ' ND2' ' HA2' ' A' ' 73' ' ' GLY . 93.3 m-20 -60.51 -29.08 68.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.578 0.227 . . . . 0.0 111.497 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.19 94.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 111.039 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.09 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.94 87.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.666 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.99 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 104' ' ' ARG . 45.5 ttm180 -65.84 -46.43 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.72 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.7 p -67.58 -29.8 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.48 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.87 -47.3 85.61 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.901 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.57 -44.21 96.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.534 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.9 -48.6 85.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 69' ' ' LEU . 84.9 mt -68.19 -30.22 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.397 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.7 92.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.777 0.322 . . . . 0.0 110.677 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.8 m -77.7 -19.33 55.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.237 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.254 0.549 . . . . 0.0 109.978 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.68 53.92 2.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.065 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -131.22 155.26 47.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -73.77 84.35 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.19 132.54 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -112.87 114.35 26.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.728 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.3 tp -89.93 98.51 11.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.998 0.428 . . . . 0.0 110.492 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.81 91.77 8.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 174.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tpt -94.42 99.02 11.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 68.4 mt -101.31 120.8 51.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 30' ' ' GLN . 51.2 t -88.18 150.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.387 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.88 131.06 50.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.363 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.87 138.8 42.3 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.873 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.71 -35.7 75.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 110.736 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.15 143.23 52.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.563 0.697 . . . . 0.0 111.292 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -150.07 -36.09 0.16 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.62 -162.97 0.2 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.311 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -113.52 -64.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.17 89.55 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -75.08 -22.37 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.66 172.254 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 85.0 mtp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -75.38 45.08 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.294 2.663 . . . . 0.0 112.642 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.65 99.2 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -100.13 -43.56 6.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.824 -175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -86.29 124.49 32.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.972 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -63.94 143.53 57.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.402 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -63.46 123.2 80.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.754 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.86 119.57 1.19 Allowed 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.81 3.006 . . . . 0.0 113.525 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.69 103.71 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.58 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -152.35 118.18 5.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 m -58.92 109.25 0.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.499 . . . . 0.0 110.994 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -74.78 108.41 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.998 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.7 ' HA ' ' HE2' ' A' ' 106' ' ' TYR . . . -127.94 22.5 6.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.013 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? 68.36 175.66 0.27 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.834 -176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -164.66 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -99.5 91.19 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.103 0.477 . . . . 0.0 110.875 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.04 138.12 31.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.294 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.51 -40.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 110.185 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 73' ' ' GLY . . . 146.1 -36.08 1.32 Allowed Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -95.3 -14.31 24.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.606 0.241 . . . . 0.0 110.555 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -146.55 160.49 42.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.79 115.92 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.414 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' ILE . 63.1 tttm -101.64 104.63 15.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.001 0.429 . . . . 0.0 110.072 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.27 89.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.909 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.23 -89.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.334 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -103.85 -18.05 14.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -111.77 124.34 52.13 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.5 -176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 57.8 mt -86.54 103.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -103.57 99.93 9.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 0.0 110.681 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 122' ' ' VAL . 61.9 tt0 -98.1 66.08 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.88 -164.82 1.5 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.998 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 14.6 m -108.05 126.05 52.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -145.61 161.65 39.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 111.199 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 44.3 mt -112.63 118.27 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.076 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 118' ' ' LEU . 63.1 tp -105.23 118.47 36.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.518 ' SD ' HD13 ' A' ' 63' ' ' LEU . 86.9 mtp -116.37 151.14 46.54 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 39.02 0.39 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.792 2.328 . . . . 0.0 113.513 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -172.38 -33.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.245 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -132.83 141.83 48.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.87 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 35' ' ' LEU . 64.9 tp -116.61 122.87 45.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.609 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.6 t -98.89 101.82 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.53 -33.53 47.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.738 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -108.48 92.71 4.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 111.591 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' SER . 20.3 t90 -133.72 82.14 51.33 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.05 90.14 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.124 2.549 . . . . 0.0 113.33 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.914 HG13 HE22 ' A' ' 51' ' ' GLN . 78.1 t -136.18 101.06 10.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.951 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 101.28 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.098 2.532 . . . . 0.0 112.368 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 m 62.28 -171.11 0.16 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.318 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.83 162.64 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.48 -75.36 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.622 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.914 HE22 HG13 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -86.1 12.69 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 178.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.6 tp -75.51 114.05 13.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 78.7 mt-30 -142.99 167.07 17.04 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.052 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 50.2 Cg_exo -54.26 -22.78 27.47 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.726 2.284 . . . . 0.0 112.903 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.28 -31.53 67.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 111.529 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -101.88 -22.68 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.484 0.659 . . . . 0.0 110.249 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ttt -95.73 5.21 51.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.968 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.87 -48.0 60.31 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.069 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.22 -42.81 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 34' ' ' ILE . 42.6 t -61.93 -43.4 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.64 -30.8 69.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.782 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.08 -21.83 49.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.665 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.1 mt -77.6 -6.92 55.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.523 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.35 82.5 0.19 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-O 121.344 0.592 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -97.39 141.64 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.198 2.599 . . . . 0.0 112.951 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.85 -35.2 10.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.433 0.635 . . . . 0.0 109.432 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.17 132.07 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.595 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.8 mt -115.47 126.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.381 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.7 mt -111.69 119.6 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.083 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 119' ' ' ALA . 4.4 mm? -99.01 124.76 44.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.44 103.16 1.33 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.9 p -99.88 67.11 1.42 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.196 0.522 . . . . 0.0 111.464 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 19' ' ' GLY . . . 62.72 -130.88 43.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.534 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -118.41 33.07 5.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.988 0.899 . . . . 0.0 109.474 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -144.32 133.13 22.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.9 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 133.69 35.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.028 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -123.6 162.29 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.895 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -99.52 124.11 45.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.866 0.365 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.73 146.94 95.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.802 2.334 . . . . 0.0 112.159 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m -62.9 145.45 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -30.37 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.073 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.07 -44.13 94.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.48 -40.84 82.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.307 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.1 mt -58.45 -42.06 86.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.655 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.77 76.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.2 99.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.83 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 t -55.55 -56.13 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.328 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.68 -38.02 80.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 m -67.19 -39.96 86.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.708 -176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -87.89 -26.38 22.78 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.427 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.33 50.43 3.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.962 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.7 mt -118.09 123.6 71.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.5 128.76 48.4 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.077 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 tp -127.46 99.15 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.4 mm-40 -107.12 111.33 23.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.815 0.34 . . . . 0.0 110.986 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.54 116.66 29.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.867 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.6 mtm -142.75 -166.95 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.253 0.549 . . . . 0.0 110.246 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -91.95 169.21 10.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.061 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 19' ' ' GLY . 83.9 m-20 -63.07 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.03 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.124 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.82 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.76 88.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.394 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -64.34 -45.9 85.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 m -69.15 -31.74 70.61 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.128 0.49 . . . . 0.0 110.405 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.7 ' HE2' ' HA ' ' A' ' 13' ' ' ALA . 45.8 t80 -63.1 -45.05 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.732 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -26.94 68.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.838 0.351 . . . . 0.0 110.602 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.06 -47.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.8 -20.53 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.247 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.83 96.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.311 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 m -70.06 -31.96 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 114' ' ' ARG . 38.5 mm-40 -63.5 -37.06 85.84 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.68 78.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.306 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.563 ' HG3' ' HB3' ' A' ' 112' ' ' GLU . 76.3 mtt-85 -88.38 164.8 15.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -176.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 115' ' ' ARG . 17.2 mmt180 -72.21 87.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.895 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.7 p -98.47 130.33 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.381 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.34 97.92 7.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.602 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD11 ' HE2' ' A' ' 120' ' ' MET . 48.0 tp -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.01 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -97.85 98.9 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.2 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.8 mmt -91.31 120.3 32.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.358 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.06 119.48 60.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.393 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 30' ' ' GLN . 67.4 t -87.77 116.07 29.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.31 0.576 . . . . 0.0 110.775 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.7 74.0 1.0 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.052 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -173.43 48.77 0.16 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.28 97.6 10.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.842 0.353 . . . . 0.0 111.381 -173.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.17 106.73 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 172.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -134.97 124.86 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.2 t60 56.5 45.91 21.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.493 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -84.05 98.74 10.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -106.67 -26.08 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.484 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -98.62 125.84 44.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.282 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.012 179.469 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.6 Cg_endo -84.74 101.2 0.78 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.706 2.271 . . . . 0.0 111.941 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.5 tp -83.05 71.84 10.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -96.32 -57.42 2.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.921 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -96.55 114.21 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.0 147.93 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 62.3 88.2 0.12 Allowed Pre-proline 0 N--CA 1.464 0.256 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.59 -167.64 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.704 2.269 . . . . 0.0 113.087 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -92.46 167.39 12.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.887 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 12' ' ' TYR . 49.5 t80 -64.29 -22.72 67.05 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.086 0.241 . . . . 0.0 110.59 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.5 p 67.68 -41.11 0.42 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.265 1.426 . . . . 0.0 113.384 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 95.6 m-85 -79.66 79.76 6.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.39 125.78 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.747 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -87.03 101.61 13.61 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 25' ' ' ASN . 39.2 ttm180 -78.69 -32.84 47.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.572 -168.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . . . -159.74 158.06 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.7 109.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.941 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' A' ' 21' ' ' HIS . 2.7 p30 -93.52 -0.81 56.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' HA3' ' HG2' ' A' ' 74' ' ' GLU . . . 105.66 -39.69 2.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.253 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -107.14 -21.19 13.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 110.531 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.496 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . 87.5 m-70 -129.19 143.2 50.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.514 173.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.13 122.06 42.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tppp? -98.64 98.14 9.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.4 101.41 12.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 171.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 15' ' ' ARG . 73.3 m-20 62.78 -103.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.97 -173.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.52 2.08 12.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.06 0.457 . . . . 0.0 110.119 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -93.62 116.52 29.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 21' ' ' HIS . 49.6 mt -90.23 103.09 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.188 0.518 . . . . 0.0 110.363 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.15 109.76 19.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.53 3.58 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -142.21 -93.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.161 -0.615 . . . . 0.0 112.283 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -114.98 134.57 55.07 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -168.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -170.35 151.43 3.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.966 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 45.8 mt -122.02 129.95 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.13 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 56.8 tp -110.92 123.76 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.826 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 86.3 mtp -125.08 163.66 36.43 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.1 102.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.75 2.3 . . . . 0.0 112.583 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 63.14 20.51 12.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.148 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 36' ' ' MET . 2.1 tp10 -131.82 105.14 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.205 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 tp -97.67 116.96 30.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 22.4 t -97.1 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 110.501 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 5.1 tm-20 -102.76 149.6 24.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.941 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 85.7 t60 74.66 86.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.509 0.671 . . . . 0.0 111.085 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -163.16 82.74 1.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.431 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.07 102.43 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.99 2.46 . . . . 0.0 113.859 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -142.93 82.55 12.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 170.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.89 -33.84 50.97 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.553 2.169 . . . . 0.0 112.53 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.1 m -150.95 157.27 42.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.02 97.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.506 0.669 . . . . 0.0 109.937 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.19 -38.9 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.034 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.86 10.71 25.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.55 95.6 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.387 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -97.92 156.62 35.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.01 -29.86 75.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.884 2.39 . . . . 0.0 112.302 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.897 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.98 -29.94 12.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.095 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tpt -76.07 -11.94 60.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.852 0.834 . . . . 0.0 109.313 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.42 -33.33 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.646 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.92 90.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.075 0.464 . . . . 0.0 110.848 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 65' ' ' PRO . 22.4 t -66.21 -37.59 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.913 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.59 -33.47 75.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.71 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.22 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.7 -18.07 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.654 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 56.5 m-80 61.66 81.74 0.23 Allowed Pre-proline 0 N--CA 1.468 0.444 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.128 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HG3' HG12 ' A' ' 60' ' ' VAL . 84.4 Cg_endo -93.16 177.91 1.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.762 2.308 . . . . 0.0 111.679 174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.79 -46.5 2.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.364 0.602 . . . . 0.0 109.599 174.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.4 p -126.25 134.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.691 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.7 mt -124.52 117.42 50.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.954 0.407 . . . . 0.0 110.311 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 95' ' ' GLU . 68.5 mt -92.14 109.62 20.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.624 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.6 tp -95.9 106.97 19.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.909 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 96.02 2.05 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.617 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 p -84.25 63.01 7.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.275 0.56 . . . . 0.0 111.631 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.66 -132.06 51.21 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.785 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 25.0 mm-40 -96.04 10.12 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.76 164.36 16.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.535 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 97' ' ' MET . 25.8 mt-30 -109.69 107.79 17.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -120.06 139.97 51.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.688 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.43 134.3 38.44 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.3 179.75 5.85 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.547 2.165 . . . . 0.0 112.438 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB3' HG23 ' A' ' 83' ' ' VAL . 23.8 t -67.31 151.67 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.423 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 m -62.5 -34.24 76.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -33.32 75.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 80' ' ' SER . 62.1 t -70.21 -39.29 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -31.98 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.676 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.81 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.94 -37.35 76.51 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 110.67 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 39.9 t -61.42 -39.61 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.18 -48.38 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.4 m -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -97.07 -2.21 43.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.78 42.28 93.17 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.139 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mm -84.36 139.87 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.745 0.307 . . . . 0.0 110.582 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.13 84.97 1.58 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.711 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -88.83 105.83 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -108.49 105.96 15.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.51 -177.306 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.02 115.41 28.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.944 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.523 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 70.3 mtm -146.23 -169.87 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.843 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 p -75.36 147.12 40.34 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -63.98 -29.13 70.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.15 89.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.771 0.319 . . . . 0.0 111.021 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.73 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.977 0.418 . . . . 0.0 110.689 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.82 95.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.795 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.91 92.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.372 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -68.63 -47.97 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.603 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.5 m -62.96 -29.99 71.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.945 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.607 ' HB2' HD13 ' A' ' 118' ' ' LEU . 79.0 t80 -58.59 -43.02 89.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.875 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.2 -38.73 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.613 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.88 -45.71 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.652 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.61 -30.56 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.883 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.97 -17.97 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.261 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 m -64.3 -48.64 74.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.51 -25.77 60.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.146 0.498 . . . . 0.0 110.018 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.53 42.74 6.39 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.854 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -91.66 166.83 12.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 64' ' ' ASN . 94.7 mtt180 -74.27 85.41 1.92 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.8 p -104.31 134.22 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.524 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -113.5 115.07 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.088 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.607 HD13 ' HB2' ' A' ' 106' ' ' TYR . 32.5 tp -87.61 91.3 8.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.63 103.8 14.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.23 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.517 ' HE2' HD21 ' A' ' 118' ' ' LEU . 19.3 mmt -102.35 113.04 26.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.005 -175.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.37 93.89 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 168.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.19 144.86 12.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 -171.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.69 -85.42 0.54 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.035 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.78 -110.59 0.67 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.96 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.5 pt? -135.39 149.1 49.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.703 0.287 . . . . 0.0 110.264 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 1.8 tm-20 -134.94 147.58 49.82 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 126' ' ' GLU . 2.4 m80 72.59 111.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.797 0.686 . . . . 0.0 111.659 -176.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -69.6 94.76 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.569 0.699 . . . . 0.0 109.235 172.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -149.91 143.52 25.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.894 -172.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.7 t60 74.01 -37.79 0.38 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.669 0.788 . . . . 0.0 112.465 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.6 m170 67.89 -173.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.247 0.955 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.146 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 22.9 mmt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 11.9 Cg_exo -69.87 104.02 1.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.646 2.231 . . . . 0.0 112.556 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.7 tp -93.78 110.15 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -114.25 -80.67 0.6 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.36 -83.2 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.661 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.05 59.91 4.13 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.698 0.624 . . . . 0.0 110.332 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.62 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 44.5 t-80 -72.53 -50.78 7.73 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.97 -175.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 20.6 Cg_exo -66.13 110.76 1.83 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.982 1.788 . . . . 0.0 111.852 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.39 -19.75 20.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -83.54 97.38 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.379 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 m -100.72 130.32 46.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.265 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.8 136.11 38.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.43 131.91 22.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.17 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 17' ' ' ALA . 56.2 tp -75.46 98.32 3.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -87.92 -32.11 19.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.02 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . . . -166.6 125.08 1.43 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 14' ' ' LEU . . . -111.21 126.43 54.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.807 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -113.46 166.81 11.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.52 -36.25 90.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.274 -0.489 . . . . 0.0 114.044 -171.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -115.62 -0.61 12.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.26 0.53 . . . . 0.0 111.95 -174.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 1.9 p80 -164.57 143.26 6.99 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 111.234 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.73 146.43 43.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.445 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.653 ' HG2' HG12 ' A' ' 28' ' ' ILE . 37.2 mtmt -115.97 107.95 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.044 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.2 120.14 59.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.848 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.15 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.188 0.595 . . . . 0.0 110.4 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.25 17.25 0.74 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.81 0.814 . . . . 0.0 108.911 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.53 125.34 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.307 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' HG2' ' A' ' 23' ' ' LYS . 70.2 mt -87.57 111.15 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.34 118.93 38.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.015 0.436 . . . . 0.0 111.638 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -117.22 73.66 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.579 0.704 . . . . 0.0 109.915 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -158.21 -175.48 5.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.763 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' MET . 42.9 m -98.89 103.12 15.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -129.17 154.46 46.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.445 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 31.7 mt -105.84 116.12 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.75 0.31 . . . . 0.0 110.392 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 14' ' ' LEU . 62.8 tp -105.43 107.11 17.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.268 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.817 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 80.3 mtp -118.82 159.8 43.02 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.15 3.65 2.36 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.575 2.183 . . . . 0.0 112.054 175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -96.43 -61.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.777 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -156.49 -178.99 7.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 35' ' ' LEU . 66.4 tp -107.43 118.2 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.924 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 30.0 t -92.13 103.18 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -88.0 -34.99 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.162 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -83.76 86.05 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.654 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -146.36 87.16 6.63 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.57 90.84 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.195 2.597 . . . . 0.0 113.915 -170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 51' ' ' GLN . 45.4 t -138.0 83.68 22.66 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.25 171.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.994 ' HD2' ' HG3' ' A' ' 51' ' ' GLN . 38.3 Cg_exo -61.61 -38.97 57.88 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.762 2.308 . . . . 0.0 112.757 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.5 m -153.45 171.64 18.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.54 118.1 7.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.75 -27.52 2.69 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 31.8 mm-40 -83.93 -4.99 59.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.245 175.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -87.17 94.09 9.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 22.4 mt-30 -132.41 168.64 16.76 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 94.7 Cg_exo -46.34 -32.52 10.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.057 2.505 . . . . 0.0 113.119 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.11 52.67 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -114.07 -23.41 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.961 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tpt -80.78 -34.4 34.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.28 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 61' ' ' LEU . 38.7 t70 -67.13 -18.94 65.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 111.099 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.84 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.5 -37.0 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.468 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 58' ' ' ASP . 69.5 mt -67.35 -33.42 75.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.761 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.83 86.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.11 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.931 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.453 HD22 HD11 ' A' ' 92' ' ' ILE . 3.4 t-20 54.93 76.12 0.54 Allowed Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.943 176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 92' ' ' ILE . 98.2 Cg_endo -80.9 174.43 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.484 2.122 . . . . 0.0 111.636 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.13 -30.61 25.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 109' ' ' LEU . 7.4 p -156.72 145.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.063 177.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 HD12 ' SG ' ' A' ' 87' ' ' CYS . 62.3 mt -116.68 127.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 110.667 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 109' ' ' LEU . 87.1 mt -108.55 112.87 25.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.772 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.5 tp -94.48 109.24 21.14 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.31 97.68 1.02 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.596 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 76' ' ' GLN . 21.2 p -85.22 57.05 4.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.189 0.519 . . . . 0.0 111.568 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 99' ' ' ASN . . . 45.85 -110.0 0.41 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.221 -0.9 . . . . 0.0 114.47 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.42 -55.64 4.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.876 -0.662 . . . . 0.0 111.596 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -93.1 105.96 17.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.772 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.561 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 4.6 pt20 -73.26 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.849 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.33 134.13 16.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.218 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -79.67 135.44 56.29 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 32.8 Cg_endo -64.67 161.49 35.46 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.396 2.064 . . . . 0.0 111.845 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.3 p -61.47 159.19 13.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -58.87 -27.08 64.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.995 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.99 -36.8 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 79' ' ' PRO . 31.9 t -90.29 -41.62 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.02 70.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.202 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -62.17 -41.87 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.672 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 68' ' ' ILE . 51.5 t -75.52 -37.44 60.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.344 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.3 -43.19 98.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.52 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 p -73.01 -5.31 37.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.801 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mmt180 -90.13 -6.4 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.05 174.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.33 77.0 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.451 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 65' ' ' PRO . 44.6 mt -105.2 137.43 34.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.577 0.227 . . . . 0.0 110.53 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.05 123.33 6.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.086 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 tp -105.11 101.39 10.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.977 0.417 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.4 mm-40 -96.12 119.22 34.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.086 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.02 120.4 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.882 0.373 . . . . 0.0 111.066 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.489 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.5 mtt -142.96 -175.65 4.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -178.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -84.09 172.15 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.544 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 26.6 t-20 -57.79 -47.24 83.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.994 0.426 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.27 91.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.67 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -70.28 -37.94 74.94 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.89 91.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.6 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.245 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -61.45 -41.4 97.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.6 m -78.4 -34.4 48.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 86.7 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.797 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.61 -38.22 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.151 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.02 -48.87 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 67' ' ' VAL . 83.5 mt -64.68 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.64 78.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -76.64 -6.12 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.259 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -93.73 -3.09 52.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.989 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.69 21.73 79.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.225 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -97.04 143.26 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -73.31 88.35 1.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.509 0.671 . . . . 0.0 109.985 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.75 118.46 42.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.21 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.817 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -88.44 103.15 15.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.14 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.561 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 43.1 tp -87.34 98.46 11.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.872 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.01 96.52 6.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.344 177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.561 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 2.8 mmt -92.32 96.37 10.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.995 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 72' ' ' THR . 63.8 mt -92.7 100.02 10.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 170.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' HIS . 12.2 t -122.67 151.5 26.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.7 -127.05 7.17 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.653 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 124.15 109.05 1.84 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.881 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.55 120.22 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 70.12 137.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.035 0.835 . . . . 0.0 111.171 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -141.68 -21.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.008 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -123.56 -45.58 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.178 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.17 30.24 0.7 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.904 -173.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.68 33.24 2.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 110.229 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -109.12 99.97 9.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.358 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.21 175.782 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.562 0.22 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.81 -176.08 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.678 2.252 . . . . 0.0 111.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.98 57.54 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.909 0.385 . . . . 0.0 110.405 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 62.87 -83.38 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.211 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 58.93 68.38 0.82 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.445 0.641 . . . . 0.0 109.945 -173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 46.4 mt-10 -127.59 -164.69 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.124 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 62.8 m-70 74.0 129.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.817 0.698 . . . . 0.0 110.582 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' HIS . 13.8 Cg_exo -68.04 123.48 10.69 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.041 2.494 . . . . 0.0 112.78 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -107.68 119.63 39.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -90.91 83.52 5.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.983 0.897 . . . . 0.0 110.746 -175.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -91.34 4.21 52.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.275 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -98.36 106.11 18.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.77 152.81 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.208 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' ' HB1' ' A' ' 103' ' ' ALA . 3.8 mm? -65.65 -44.12 87.33 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.336 0.397 . . . . 0.0 110.575 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 67.52 -67.56 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 124.01 0.819 . . . . 0.0 112.045 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.44 103.84 6.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.873 0.368 . . . . 0.0 110.012 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -126.59 109.84 12.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.505 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.67 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.307 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.618 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 166.28 -21.64 0.11 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.864 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 20' ' ' ARG . 15.1 mtm180 -98.25 -21.45 16.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 2.6 p-80 -160.6 158.93 29.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.634 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.12 128.15 37.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 26' ' ' GLU . 84.3 tttt -100.83 100.93 11.65 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.331 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.3 113.29 25.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 66.56 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.647 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 17.5 tp10 -141.89 6.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.212 0.53 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -108.79 120.58 42.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.34 100.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 110.003 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -92.46 104.91 17.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 10.8 pt20 -108.3 49.18 0.82 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.72 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -139.22 -173.54 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.248 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' MET . 15.9 m -93.71 110.88 22.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 172.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.629 ' CB ' ' HA ' ' A' ' 42' ' ' GLU . 48.1 p90 -133.99 150.33 51.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 111.818 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.1 mt -105.9 114.06 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.984 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 63.6 tp -105.46 116.97 32.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.083 0.468 . . . . 0.0 111.052 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.419 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 82.3 mtp -124.82 163.4 37.48 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.437 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 74.7 Cg_exo -51.56 -31.96 42.02 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.223 2.615 . . . . 0.0 114.212 -176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.33 -33.13 3.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.793 0.33 . . . . 0.0 111.807 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.33 133.87 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.027 0.442 . . . . 0.0 111.395 -173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 35' ' ' LEU . 55.2 tp -126.8 116.52 21.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -114.66 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.866 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.629 ' HA ' ' CB ' ' A' ' 33' ' ' PHE . 1.3 pm0 -86.96 -5.8 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.558 . . . . 0.0 110.919 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -106.61 77.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.437 0.637 . . . . 0.0 110.693 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 15.1 t90 -110.8 117.22 50.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.869 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 16.6 Cg_exo -68.47 67.1 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.346 2.697 . . . . 0.0 113.7 -175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.47 97.13 14.73 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.68 -35.89 26.93 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.869 2.379 . . . . 0.0 112.473 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.1 m -157.56 168.88 26.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.34 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 72' ' ' THR . 79.5 mt -65.31 -16.1 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.786 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.57 67.73 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.227 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.34 19.32 13.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.044 0.449 . . . . 0.0 110.193 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 79' ' ' PRO . 32.4 tp -81.27 68.0 7.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.788 0.804 . . . . 0.0 109.669 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 23.2 mm-40 -107.22 164.25 15.22 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.471 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 Cg_endo -67.74 -6.07 15.9 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.086 1.857 . . . . 0.0 111.576 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.7 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.543 174.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -124.77 -35.31 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.03 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -87.88 5.65 39.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.555 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 34.5 t70 -56.09 -40.71 74.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.331 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' LEU . . . -58.61 -39.13 79.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.123 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.03 -39.88 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.58 -37.62 87.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.772 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.92 -21.52 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.293 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . 4.8 tt -64.54 -28.73 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.915 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 12.3 m-80 71.14 74.67 0.24 Allowed Pre-proline 0 N--CA 1.467 0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.137 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.657 ' HG2' HD11 ' A' ' 68' ' ' ILE . 37.9 Cg_endo -97.46 151.63 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.291 2.661 . . . . 0.0 111.868 171.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.91 -44.79 10.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.226 0.536 . . . . 0.0 109.916 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -133.46 135.02 56.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.014 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 65' ' ' PRO . 59.2 mt -119.7 122.34 68.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD12 ' A' ' 109' ' ' LEU . 96.0 mt -96.15 106.46 18.65 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' A' ' 72' ' ' THR . 58.4 tp -95.58 107.26 19.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.238 -176.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.85 94.36 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 49' ' ' LEU . 41.3 p -86.47 79.51 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.979 0.418 . . . . 0.0 111.268 -176.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.72 -122.92 14.59 Favored Glycine 0 CA--C 1.518 0.236 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.97 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.78 10.6 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.041 0.448 . . . . 0.0 110.67 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -128.01 118.64 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.212 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.34 98.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HB3' HD13 ' A' ' 49' ' ' LEU . 29.9 tp60 -116.86 124.17 48.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.472 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 96.1 m-85 -65.72 137.77 96.37 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.509 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 52' ' ' LEU . 9.7 Cg_exo -72.11 -168.07 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.916 2.411 . . . . 0.0 112.2 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.609 ' HB3' HG23 ' A' ' 83' ' ' VAL . 43.6 t -73.2 142.28 47.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 p -68.33 -23.35 64.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.37 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.11 -29.19 63.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.233 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 80' ' ' SER . 47.7 t -74.13 -35.93 42.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.263 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.45 -31.79 66.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.39 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.908 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.96 91.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.819 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.48 -45.81 92.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.843 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -42.05 63.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.522 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 57.9 m -61.45 -38.97 89.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.328 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -84.19 -36.16 23.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.08 43.03 3.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -95.63 140.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.39 91.97 1.75 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.114 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 tp -91.56 102.34 14.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.87 0.367 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' HD23 ' A' ' 69' ' ' LEU . 57.9 mm-40 -95.52 107.72 19.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.75 111.16 19.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.2 mtt -134.76 -175.56 3.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.903 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -89.52 165.49 14.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.618 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 24.1 t-20 -53.83 -45.9 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.467 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.67 85.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.461 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.97 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.533 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.45 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -62.9 -40.77 98.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -66.63 -40.49 88.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.9 m -73.25 -28.52 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.129 0.49 . . . . 0.0 111.006 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 45.1 t80 -62.26 -34.05 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -52.65 -44.66 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.01 -49.86 58.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 69' ' ' LEU . 90.5 mt -69.12 -24.98 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.795 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.58 87.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.352 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.8 m -72.06 -31.34 66.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . 7.3 mm-40 -63.83 -38.54 91.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 174.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.3 23.08 73.23 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -87.1 47.15 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.971 -173.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 49.57 67.76 0.84 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.416 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.33 138.46 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.037 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.68 121.79 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.863 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 29.8 tp -92.54 105.57 17.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.83 98.18 9.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 118' ' ' LEU . 19.0 mmt -99.71 111.52 23.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.625 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.411 HG23 ' OG ' ' A' ' 32' ' ' SER . 67.2 mt -111.21 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.398 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.1 m -116.63 144.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.723 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.48 -138.93 11.49 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 66.01 14.57 61.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.86 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.606 ' H ' HD23 ' A' ' 125' ' ' LEU . 2.4 pt? -64.89 -24.01 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -101.05 1.64 39.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.291 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.95 -39.84 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -87.44 98.63 11.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -63.44 119.21 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -62.78 -52.37 63.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.26 -172.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -142.68 -37.27 0.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--O 1.242 0.7 0 CA-C-O 118.711 -0.662 . . . . 0.0 109.82 178.015 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 26.8 ttt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 16.1 Cg_exo -67.81 72.97 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.074 2.516 . . . . 0.0 112.628 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt 64.53 -178.75 0.17 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.751 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -157.76 154.26 27.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -149.92 134.33 17.38 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.496 -174.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.67 135.54 46.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.034 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER 66.87 64.42 0.77 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.061 0.851 . . . . 0.0 112.094 -177.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 7' ' ' HIS . 86.4 Cg_endo -98.19 30.19 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.501 2.801 . . . . 0.0 111.396 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.08 104.39 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.683 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -110.24 148.38 31.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 p -75.68 104.42 6.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.71 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HE2' ' HE2' ' A' ' 106' ' ' TYR . 28.2 p90 -69.32 128.31 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB1' ' HG3' ' A' ' 15' ' ' ARG . . . -95.78 -60.78 1.57 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.478 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.5 tp 55.96 75.03 0.36 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.641 0.588 . . . . 0.0 109.975 -174.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 57.6 mtt-85 -112.41 4.79 17.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.475 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -146.08 128.71 16.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.878 0.371 . . . . 0.0 111.456 -175.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.4 119.97 27.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.209 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -117.46 6.22 12.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.403 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 99' ' ' ASN . . . 82.63 -57.56 5.03 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.212 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -85.28 -10.98 55.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 111.245 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 30' ' ' GLN . 7.9 p-80 -164.63 160.36 19.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.484 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.12 147.81 52.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 93.2 mttt -94.93 110.98 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.104 0.478 . . . . 0.0 111.45 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 29' ' ' LEU . 48.8 t -96.12 92.95 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 173.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 67.89 -88.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.087 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -128.08 6.56 5.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -120.37 129.37 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.361 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 HG12 ' HG2' ' A' ' 23' ' ' LYS . 67.9 mt -91.49 113.03 26.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.118 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 24' ' ' VAL . 77.2 mt -105.21 136.21 45.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.98 0.419 . . . . 0.0 110.879 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HA ' HG23 ' A' ' 122' ' ' VAL . 25.1 pt20 -137.33 52.51 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.717 0.77 . . . . 0.0 109.927 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -132.33 -171.12 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.841 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.2 m -96.7 121.64 38.77 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.3 149.25 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 59.0 mt -99.77 117.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.712 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HB3' HD23 ' A' ' 118' ' ' LEU . 54.2 tp -105.25 125.81 51.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.652 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtt -136.1 155.42 77.57 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.311 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.83 -16.05 45.14 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.1 1.866 . . . . 0.0 111.008 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.48 -44.51 19.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.734 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -168.64 174.74 6.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.17 128.01 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 41.0 t -113.44 91.54 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -20.68 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 110.28 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.77 60.09 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -120.93 95.79 48.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.67 74.97 4.62 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.802 2.335 . . . . 0.0 113.07 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 52' ' ' LEU . 88.9 t -131.35 86.47 50.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 174.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 51' ' ' GLN . 6.3 Cg_exo -78.72 87.37 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.807 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m 66.54 -164.93 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.909 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 77' ' ' GLN . 84.0 mt -82.03 155.85 24.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.44 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.27 -54.16 0.62 Allowed Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -174.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 23.8 mp0 -85.63 -7.23 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.196 0.522 . . . . 0.0 110.27 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 HG11 ' A' ' 46' ' ' VAL . 59.0 tp -74.89 82.61 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.49 155.72 62.53 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.221 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.04 -33.78 84.68 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.397 2.065 . . . . 0.0 111.163 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' ASP . . . -79.39 -10.82 59.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.389 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -95.6 -20.41 18.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.974 0.416 . . . . 0.0 110.574 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tpt -94.98 -5.34 44.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 55' ' ' ALA . 26.3 t70 -56.05 -40.1 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.688 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.96 -45.03 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.02 0.438 . . . . 0.0 111.11 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.85 -36.81 59.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.362 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.37 -17.3 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.67 -39.08 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 97.5 mt -67.09 -35.84 80.66 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.136 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 m120 64.38 83.52 0.2 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.363 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' HG12 ' A' ' 68' ' ' ILE . 1.8 Cg_endo -85.46 163.14 11.05 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.062 2.508 . . . . 0.0 111.102 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.86 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.394 0.616 . . . . 0.0 109.5 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 HG13 HG23 ' A' ' 116' ' ' VAL . 6.7 p -145.65 134.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.708 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 65' ' ' PRO . 67.2 mt -104.12 127.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.486 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 105' ' ' THR . 1.5 tt -109.95 112.93 25.25 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.01 122.38 42.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.32 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.02 99.64 0.93 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 77' ' ' GLN . 24.9 p -86.24 50.71 2.04 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 122' ' ' VAL . . . 53.87 -94.24 0.02 OUTLIER Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.562 -175.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 11.6 tp10 -134.58 153.17 52.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 74' ' ' GLU . 36.8 ttm180 77.67 115.81 0.06 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.177 0.923 . . . . 0.0 109.789 -171.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -66.63 116.59 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.381 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.654 ' HB3' HD11 ' A' ' 49' ' ' LEU . 25.6 mm-40 -127.73 133.46 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.104 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.31 146.53 32.75 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.813 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.35 159.97 29.1 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.598 2.199 . . . . 0.0 111.688 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 7.8 p -71.4 165.88 22.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.785 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.4 m -58.71 -26.89 64.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 110.653 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.1 -43.52 87.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -85.23 -38.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.731 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 80' ' ' SER . 89.0 mt -56.49 -37.86 70.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.38 75.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.425 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.28 -17.77 54.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.291 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.3 t -90.81 -37.76 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.139 0.495 . . . . 0.0 110.243 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.49 -27.85 52.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.581 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.773 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.64 -14.82 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.485 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.59 49.78 7.75 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.524 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mm -91.28 133.38 33.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.2 117.45 5.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.13 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.74 108.0 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.758 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -94.74 104.1 16.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.604 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.99 113.7 25.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.1 mtm -142.35 -171.16 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.7 p -95.47 169.53 9.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.534 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.64 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t-20 -56.83 -42.06 78.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.201 0.313 . . . . 0.0 111.45 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.56 90.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.623 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.07 -38.16 22.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.9 87.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.08 78.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.12 -48.16 45.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.081 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 69' ' ' LEU . 26.5 m -69.09 -37.11 78.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.312 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.441 ' HE2' ' HE2' ' A' ' 12' ' ' TYR . 80.1 t80 -59.89 -42.84 94.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.61 -40.06 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.955 0.407 . . . . 0.0 110.669 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.89 -52.63 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.576 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.87 -35.05 77.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.24 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.89 84.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -72.61 -12.57 61.1 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.724 0.297 . . . . 0.0 111.363 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.54 -9.62 59.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.74 44.07 98.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -117.46 145.89 43.87 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -66.77 97.22 0.45 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.383 0.611 . . . . 0.0 111.714 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 HG13 ' A' ' 67' ' ' VAL . 7.3 p -120.67 136.06 58.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.049 177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.56 105.42 15.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.114 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' HG2' ' A' ' 120' ' ' MET . 59.2 tp -87.87 101.38 13.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 0.0 110.14 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.56 95.2 9.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.966 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 32' ' ' SER . 13.9 mmt -90.76 107.88 19.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.56 94.43 3.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 30' ' ' GLN . 31.2 m -125.69 -179.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.919 0.39 . . . . 0.0 111.033 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 30' ' ' GLN . . . 98.55 -100.02 2.26 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.868 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.41 -56.42 4.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.051 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.64 141.07 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.606 0.762 . . . . 0.0 111.77 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.94 150.02 49.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.745 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -134.63 -1.1 2.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.523 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -69.28 148.62 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.213 -0.305 . . . . 0.0 110.2 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -84.46 88.48 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.895 0.855 . . . . 0.0 112.254 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -122.15 139.34 53.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -60.29 113.95 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 0.0 111.405 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.8 m170 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.546 176.84 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.917 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 119.731 -0.176 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_endo -87.34 102.18 0.53 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.171 1.914 . . . . 0.0 111.774 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.89 7.05 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 0.0 110.972 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -126.11 171.34 10.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.974 -176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.81 75.27 4.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.549 . . . . 0.0 109.926 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.08 141.3 28.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.096 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.78 117.16 65.54 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.662 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.96 -49.29 11.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.425 2.084 . . . . 0.0 110.857 173.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -95.71 120.52 36.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.955 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -87.03 112.82 22.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -88.68 147.17 24.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.951 0.405 . . . . 0.0 110.07 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -142.68 134.79 27.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.52 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.83 77.84 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.46 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 tp 70.27 151.47 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.88 0.738 . . . . 0.0 110.96 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -89.41 -57.73 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 109.449 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.35 162.59 25.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.99 108.57 9.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' ' 21' ' ' HIS . 17.6 m-20 -96.25 171.33 8.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.92 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.21 113.3 5.76 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.644 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.573 ' NH2' ' HA2' ' A' ' 124' ' ' GLY . 62.5 mtp85 72.26 18.57 4.65 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.769 0.428 . . . . 0.0 111.21 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 31.1 m80 -144.13 150.79 38.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.742 0.306 . . . . 0.0 111.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.9 135.77 24.72 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HG2' HG12 ' A' ' 28' ' ' ILE . 64.6 mttt -123.45 114.12 19.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.985 0.421 . . . . 0.0 111.504 -174.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG11 HD22 ' A' ' 40' ' ' LEU . 24.5 t -112.57 113.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.063 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 t30 64.42 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.768 0.668 . . . . 0.0 110.461 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 6.25 1.91 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.32 0.581 . . . . 0.0 110.398 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.64 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.366 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.614 HG12 ' HG2' ' A' ' 23' ' ' LYS . 57.6 mt -84.16 98.15 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 109.955 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -89.38 114.03 25.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.777 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -103.77 36.37 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -141.42 -172.82 3.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.198 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 120' ' ' MET . 17.8 m -84.1 129.52 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -141.57 161.14 38.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 49.9 mt -110.68 112.5 40.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.9 tp -105.34 120.67 42.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.425 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.1 mtt -121.61 156.62 58.33 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.787 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.6 46.86 0.64 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.255 2.636 . . . . 0.0 111.395 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.48 -49.77 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.192 -172.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.71 167.39 15.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 24' ' ' VAL . 56.1 tp -102.19 127.83 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 61.6 t -118.16 108.39 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.197 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -122.31 -162.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.653 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.437 ' H ' ' HB2' ' A' ' 42' ' ' GLU . 32.9 m80 65.74 39.67 4.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.489 0.661 . . . . 0.0 110.066 -172.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.6 t90 -96.83 121.68 58.82 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.946 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 14.8 Cg_exo -70.34 54.45 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.695 2.93 . . . . 0.0 113.617 -174.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.26 91.5 22.91 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 109.998 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.25 -13.94 6.09 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.071 2.514 . . . . 0.0 112.221 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 m -156.13 161.16 40.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.04 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.25 -28.94 70.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.733 0.301 . . . . 0.0 111.026 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.55 -16.08 62.63 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.119 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -107.27 10.34 29.85 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.324 0.583 . . . . 0.0 110.334 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -81.83 121.92 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.246 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -138.33 154.81 74.04 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.635 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 83' ' ' VAL . 51.5 Cg_exo -55.27 -32.4 80.69 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.662 2.241 . . . . 0.0 111.907 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.42 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -66.77 -35.95 81.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.366 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttt -87.44 -8.96 55.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.938 0.399 . . . . 0.0 111.281 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.73 -35.67 76.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -63.56 -35.33 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.688 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 HD11 ' A' ' 34' ' ' ILE . 32.2 t -64.95 -41.49 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.862 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -32.7 72.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.623 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.13 67.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.8 mt -78.49 3.55 15.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.499 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 64.42 86.54 0.14 Allowed Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 123.252 0.621 . . . . 0.0 111.604 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -101.13 123.99 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.652 2.901 . . . . 0.0 112.554 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.59 -32.48 19.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.413 0.625 . . . . 0.0 109.761 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 116' ' ' VAL . 6.6 p -147.95 135.82 14.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.556 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.17 119.06 60.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.011 0.434 . . . . 0.0 110.45 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.65 113.95 26.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 27.0 tp -102.6 97.16 7.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.36 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.81 109.79 3.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.146 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' GLN . 25.6 p -90.82 51.43 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 111.841 -175.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 58.19 -99.43 0.11 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 114.53 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 43.1 tt0 -87.73 -60.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.345 -0.428 . . . . 0.0 111.818 -169.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -122.13 155.59 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -66.86 96.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 72' ' ' THR . 35.8 tt0 -107.14 123.88 48.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.363 -0.381 . . . . 0.0 109.978 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 88.1 m-85 -85.5 125.32 69.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.566 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 12.1 Cg_exo -69.83 178.86 4.18 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.9 2.4 . . . . 0.0 112.24 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 m -63.29 141.46 58.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -63.2 -20.63 65.6 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.03 -42.45 85.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.82 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 54' ' ' PRO . 22.0 t -83.52 -38.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.142 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.39 -29.01 65.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.997 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.72 -29.02 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.833 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.04 80.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.636 -176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.37 -38.88 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.029 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.89 -42.27 85.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.993 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.5 p -63.78 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' A' ' 92' ' ' ILE . 60.7 ttt-85 -75.77 -27.16 57.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 46.17 2.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.134 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 90' ' ' ARG . 69.6 mt -105.46 125.46 60.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.44 17.67 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.105 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -122.27 98.51 5.97 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -99.77 101.15 12.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -83.34 114.95 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.008 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtm -142.79 -172.48 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.129 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.1 p -86.37 166.73 15.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -53.31 -45.78 69.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.315 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.89 -51.35 64.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.311 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.06 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.56 98.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.913 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 104' ' ' ARG . 3.8 mpt_? -76.87 -33.2 57.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.045 -177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.9 m -67.79 -35.6 78.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.259 0.552 . . . . 0.0 109.764 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -60.2 -43.88 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.036 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -53.79 -42.93 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.219 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.16 -50.57 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.974 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.58 -37.92 88.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.91 -27.17 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.816 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -75.18 -31.96 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.637 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' OE1' ' HB2' ' A' ' 114' ' ' ARG . 30.5 tt0 -70.56 -38.12 74.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.099 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.99 9.71 36.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.777 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.507 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 26.2 ttm180 -68.41 141.81 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -67.41 86.25 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.34 0.59 . . . . 0.0 110.008 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 67' ' ' VAL . 7.2 p -104.99 137.09 35.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.196 -175.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.17 118.35 33.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.475 175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 50.5 tp -87.77 95.31 10.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.55 84.89 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.624 ' O ' ' HA ' ' A' ' 32' ' ' SER . 4.1 tpt -89.17 97.77 11.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.278 -172.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.64 95.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.255 0.55 . . . . 0.0 109.615 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.7 t -91.05 133.92 31.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.629 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.74 -147.54 19.19 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.757 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.573 ' HA2' ' NH2' ' A' ' 20' ' ' ARG . . . 108.16 23.4 6.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.573 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.7 mt -116.61 -7.82 11.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.712 0.292 . . . . 0.0 110.941 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.7 72.89 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.694 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -86.75 88.27 7.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -104.29 89.25 3.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 67.6 138.73 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.135 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -87.51 61.66 6.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 170.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.77 35.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.779 -176.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.043 -179.889 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 24.6 Cg_exo -63.52 -68.2 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.344 2.03 . . . . 0.0 111.917 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER 54.36 68.75 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -108.42 89.39 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -93.86 -13.68 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.17 142.87 15.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.518 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -70.41 113.12 15.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 111.671 -170.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' A' ' 9' ' ' ASP . 88.1 Cg_endo -95.38 -149.97 0.03 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.619 2.88 . . . . 0.0 112.052 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' ' HB2' ' A' ' 8' ' ' PRO . 30.7 t70 -74.7 145.0 43.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -92.62 70.76 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 m -67.55 -49.31 63.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.012 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.68 94.92 5.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.73 148.69 36.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.46 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.0 94.31 5.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.088 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.678 ' NH2' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -95.88 8.95 42.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.072 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.05 103.31 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.591 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.55 10.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.229 0.537 . . . . 0.0 111.131 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 29.0 m-20 -124.9 171.29 10.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.273 175.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 74' ' ' GLU . . . -77.68 -11.76 85.13 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.508 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -115.24 -14.42 11.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.761 -0.219 . . . . 0.0 111.471 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 40.3 m80 -141.31 140.07 33.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.84 115.68 8.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.76 0.314 . . . . 0.0 110.275 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HG2' HG12 ' A' ' 28' ' ' ILE . 90.2 mttt -112.69 93.86 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.958 0.409 . . . . 0.0 110.793 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 41.0 t -88.64 107.45 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 43.5 t30 69.96 -73.43 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.858 0.724 . . . . 0.0 110.22 -174.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.678 ' HA ' ' NH2' ' A' ' 15' ' ' ARG . 6.5 tp10 -144.82 -39.72 0.26 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.194 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.94 116.47 10.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 110.861 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.822 HG12 ' HG2' ' A' ' 23' ' ' LYS . 54.6 mt -77.88 101.55 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.404 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.11 96.88 10.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -89.41 38.46 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.539 0.685 . . . . 0.0 109.803 175.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.27 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.314 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 120' ' ' MET . 16.8 t -115.69 133.56 55.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -147.55 163.8 35.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.553 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 35.9 mt -113.43 110.33 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.031 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 118' ' ' LEU . 64.1 tp -105.28 122.15 45.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.288 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ASP . 86.5 mtp -125.48 155.9 71.24 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.982 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . 11.8 Cg_exo -73.2 33.18 0.31 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.268 2.646 . . . . 0.0 111.953 176.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 36' ' ' MET . 34.2 t70 -142.76 -65.84 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.18 -177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.84 -177.27 4.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.201 173.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 35' ' ' LEU . 46.7 tp -132.72 125.59 30.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -176.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.7 t -95.18 101.03 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.03 -30.99 31.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.804 -173.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -109.82 103.93 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 111.271 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 18.3 t90 -137.38 108.92 8.75 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.0 Cg_exo -73.32 66.31 4.42 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.346 2.697 . . . . 0.0 113.949 -171.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.7 t -137.28 86.63 19.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 171.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.16 -35.7 18.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 113.007 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -154.43 -176.2 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.19 168.71 18.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.404 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.34 -57.88 0.45 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.517 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -94.0 4.8 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.536 0.684 . . . . 0.0 109.867 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.3 84.83 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.503 0.668 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 97.3 mt-30 -133.88 166.68 27.48 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.543 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 53' ' ' GLN . 5.9 Cg_endo -50.45 -19.82 5.26 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.067 2.512 . . . . 0.0 112.774 176.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.42 82.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.765 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -14.71 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.475 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 14.2 tpt -86.77 -7.73 58.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.018 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.07 -41.75 71.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.547 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.589 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -56.92 -41.54 78.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.05 -42.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.352 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.61 -34.39 69.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.647 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.34 -23.49 64.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.344 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 94.4 mt -69.76 -20.21 63.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 110.267 175.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 56.05 70.48 1.49 Allowed Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.841 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.529 ' HD2' HD13 ' A' ' 92' ' ' ILE . 1.6 Cg_endo -83.62 167.11 13.39 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.747 2.298 . . . . 0.0 111.415 173.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.92 -32.88 17.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.358 0.599 . . . . 0.0 109.897 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 7.5 p -149.2 146.5 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.748 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 117' ' ' ALA . 63.0 mt -123.05 129.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.961 0.41 . . . . 0.0 110.605 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.37 119.89 40.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.517 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.2 tp -104.42 115.73 30.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.134 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.22 102.45 2.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.708 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 77' ' ' GLN . 17.1 p -89.49 71.93 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.356 0.598 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.92 -134.42 43.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.306 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 7.3 tp10 -103.33 17.21 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.787 0.803 . . . . 0.0 109.14 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -124.21 164.92 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.758 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -105.25 96.77 6.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HB2' HG21 ' A' ' 72' ' ' THR . 46.7 mt-30 -98.26 134.87 40.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.966 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 93.1 m-85 -78.53 119.06 75.89 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.699 -175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 18.9 Cg_exo -65.64 154.89 71.84 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.045 2.497 . . . . 0.0 112.395 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -65.44 143.1 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.555 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 m -59.81 -32.18 70.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.387 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -55.23 -43.5 74.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.785 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 57' ' ' MET . 43.0 t -73.48 -41.96 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.386 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 94' ' ' LEU . 92.0 mt -60.23 -43.79 95.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.323 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.54 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.9 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.445 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.2 m -75.64 -36.21 60.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.38 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.82 -33.63 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.921 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -75.77 -32.55 59.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.992 0.425 . . . . 0.0 110.951 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -73.45 -24.48 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.486 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.09 29.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.845 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.529 HD13 ' HD2' ' A' ' 65' ' ' PRO . 50.6 mt -105.16 140.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.02 117.99 4.65 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.72 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 84' ' ' LEU . 55.3 tp -108.52 113.03 25.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.343 . . . . 0.0 110.206 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -110.01 118.01 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.96 117.18 27.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.276 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 66.1 mtt -138.06 -170.21 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.199 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -93.98 157.52 16.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.58 -41.98 77.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.725 0.298 . . . . 0.0 111.267 -177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.73 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.476 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.73 61.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 111.32 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.51 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.363 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.1 76.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.047 0.451 . . . . 0.0 110.98 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -69.75 -37.03 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.368 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -72.98 -34.1 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.862 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.79 -44.04 77.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.389 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.29 -37.04 76.71 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.44 -41.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.248 0.547 . . . . 0.0 110.913 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.39 -30.78 53.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . . . -66.46 -42.53 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -68.21 -33.32 74.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' OE2' ' HB2' ' A' ' 114' ' ' ARG . 28.2 tt0 -69.45 -37.49 77.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 110.207 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.85 25.7 10.37 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.898 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' PRO . 20.2 ttm180 -92.17 135.33 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -73.72 92.16 1.97 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.625 0.726 . . . . 0.0 111.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 6.0 p -101.84 128.83 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.704 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -90.94 97.87 11.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.778 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 35' ' ' LEU . 62.1 tp -87.55 98.35 11.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.73 101.92 13.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.069 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' A' ' 32' ' ' SER . 36.5 mtt -99.04 116.77 32.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.26 99.98 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.3 t -103.93 101.15 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -170.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.65 29.34 63.98 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.139 172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.72 56.49 4.51 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.412 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.6 mt -129.67 96.51 4.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.894 0.378 . . . . 0.0 111.052 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.02 126.02 38.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.328 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.8 73.52 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.391 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.3 m80 53.21 -103.29 0.16 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.577 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -97.08 -60.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -163.66 140.52 7.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.23 0.612 . . . . 0.0 109.401 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -151.82 -49.72 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.519 0.512 . . . . 0.0 110.066 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.905 -179.153 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.76 115.82 3.78 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.758 2.306 . . . . 0.0 111.543 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.77 75.52 10.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.381 0.61 . . . . 0.0 112.001 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -141.25 17.29 2.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.577 1.179 . . . . 0.0 107.852 168.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 5.8 tp-100 -158.63 102.8 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.742 -1.572 . . . . 0.0 108.257 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -66.35 0.59 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.448 -175.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -144.64 108.46 4.77 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' CG ' ' A' ' 5' ' ' GLN . 12.5 Cg_exo -70.72 170.17 18.37 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.725 2.283 . . . . 0.0 111.001 172.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.86 100.02 5.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.055 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 63.35 105.81 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.527 0.679 . . . . 0.0 112.296 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -70.31 131.89 44.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 41.4 m-85 -71.81 85.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.64 151.72 31.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.101 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 103' ' ' ALA . 45.3 tp -67.92 141.77 56.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.786 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.02 -56.8 2.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.33 173.0 8.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.044 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -112.69 128.27 56.35 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.641 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 12.0 t70 -97.87 -13.23 21.38 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.12 0.485 . . . . 0.0 110.591 -173.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 81.14 111.61 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 71.4 mtp85 66.76 7.98 5.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.337 0.589 . . . . 0.0 110.076 -171.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 33.9 m80 -152.96 147.2 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.219 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.19 134.32 55.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.056 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -110.88 99.68 8.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.875 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.59 115.0 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.22 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 62.31 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.74 0.65 . . . . 0.0 110.329 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.37 -4.27 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 110.692 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -100.76 129.07 46.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.028 -170.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.68 109.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.538 175.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.14 140.63 29.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.897 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' HD2' ' A' ' 21' ' ' HIS . 39.1 mt-30 -128.59 28.5 5.4 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 31' ' ' GLN . 8.5 mm100 -120.02 170.08 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.74 -176.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 5.8 m -82.19 119.3 23.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 50.6 p90 -139.21 157.59 45.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 60' ' ' VAL . 54.2 mt -117.13 114.76 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.437 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 60.2 tp -105.37 123.17 47.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.219 0.533 . . . . 0.0 110.942 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.453 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 62.3 mtt -124.02 163.71 33.89 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 97.9 Cg_exo -42.8 101.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.949 2.433 . . . . 0.0 113.492 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 34.3 t70 75.69 -23.23 0.24 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.972 0.909 . . . . 0.0 112.334 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -97.46 107.56 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.255 0.55 . . . . 0.0 111.187 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 35' ' ' LEU . 60.3 tp -103.71 119.21 38.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.546 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.89 95.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -90.99 -1.74 57.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.629 -174.328 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.45 86.35 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.021 0.439 . . . . 0.0 110.903 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -123.34 103.54 35.46 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.09 45.09 1.72 Allowed 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.361 2.707 . . . . 0.0 113.877 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 52' ' ' LEU . 96.5 t -112.46 112.96 51.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.828 0.347 . . . . 0.0 110.282 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 3.1 Cg_endo -84.61 98.61 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.228 2.619 . . . . 0.0 112.111 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HA ' HG21 ' A' ' 121' ' ' ILE . 18.2 t 64.85 -160.54 0.28 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.106 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HG22 ' A' ' 72' ' ' THR . 82.5 mt -84.48 1.77 44.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.956 0.408 . . . . 0.0 111.025 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 128.84 8.73 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.296 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 8.4 tt0 76.12 1.32 3.43 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.281 0.632 . . . . 0.0 110.26 -176.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 46' ' ' VAL . 61.1 tp -75.85 98.37 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.013 177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 90.4 mt-30 -144.97 169.36 10.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HA ' ' HB3' ' A' ' 57' ' ' MET . 88.6 Cg_exo -46.8 -22.66 2.02 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.308 2.672 . . . . 0.0 113.862 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -57.46 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 111.256 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -97.78 0.82 47.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.397 0.618 . . . . 0.0 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.579 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.2 ttt -93.69 4.15 54.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -54.84 -42.34 71.83 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.496 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.28 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.014 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 34' ' ' ILE . 24.1 t -69.03 -43.1 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.219 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.39 -27.6 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.32 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.63 75.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.01 -35.89 72.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.5 82.19 0.25 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.657 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.02 -178.45 2.86 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.43 -41.63 8.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.054 0.454 . . . . 0.0 110.568 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.22 142.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.247 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 117' ' ' ALA . 65.5 mt -126.3 122.14 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.074 0.464 . . . . 0.0 110.823 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 109' ' ' LEU . 96.3 mt -97.51 105.93 18.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -92.22 117.16 29.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.208 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 102.91 2.79 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.517 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.534 HG22 HD21 ' A' ' 49' ' ' LEU . 72.5 p -86.61 64.7 8.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.21 0.528 . . . . 0.0 110.812 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.38 -127.86 40.43 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.277 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -117.94 28.24 8.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -144.71 106.68 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.758 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -66.71 109.81 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.139 0.495 . . . . 0.0 110.535 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -134.14 146.73 50.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.686 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 51.5 p90 -76.63 141.96 69.73 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 6.2 Cg_exo -78.23 -170.92 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.933 2.422 . . . . 0.0 111.924 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -70.96 150.45 45.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -35.99 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.491 . . . . 0.0 111.242 -177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -67.95 -27.94 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.383 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.79 -43.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.058 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.72 -44.14 96.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.014 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.65 99.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.065 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.61 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.442 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' HD22 ' A' ' 94' ' ' LEU . 61.2 m -81.07 -45.67 16.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.05 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.0 p -63.42 -27.86 69.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -102.22 -13.86 17.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.488 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.25 28.3 37.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.792 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.6 mt -80.63 127.4 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.655 0.264 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.31 98.64 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.083 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD22 ' SG ' ' A' ' 87' ' ' CYS . 55.5 tp -98.64 99.18 10.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.874 0.369 . . . . 0.0 110.217 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -99.52 109.42 21.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 111.89 23.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.592 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.458 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 63.7 mtm -139.19 -178.75 5.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.356 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.5 p -76.16 162.44 27.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.104 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.91 -37.62 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CB ' ' A' ' 17' ' ' ALA . . . -77.5 -23.37 50.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.456 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -81.86 -45.3 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.84 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -61.79 -35.27 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.285 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -66.86 -46.66 74.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.795 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.4 m -67.66 -35.02 78.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.438 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.96 -35.59 75.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -67.79 -19.38 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.72 -46.92 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.968 0.413 . . . . 0.0 110.47 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 69' ' ' LEU . 87.3 mt -66.2 -21.68 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.679 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.54 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.395 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -76.54 -11.81 59.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.499 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 114' ' ' ARG . 9.6 tp10 -81.7 -33.25 31.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.17 0.509 . . . . 0.0 109.877 177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.58 12.63 83.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.648 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 83.4 mtt180 -84.74 160.76 20.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.56 92.9 4.1 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.922 0.868 . . . . 0.0 110.862 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.0 p -100.11 129.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.748 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.442 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -96.93 107.0 19.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.092 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 44.9 tp -87.45 85.87 7.17 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.72 95.82 7.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.863 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mtm -112.5 122.29 47.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.307 0.575 . . . . 0.0 110.832 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 77.6 mt -92.08 101.41 12.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.875 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.5 t -88.63 134.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.628 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 -156.42 26.68 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.194 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.39 -62.55 0.23 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt 61.56 94.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.252 0.621 . . . . 0.0 112.03 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -116.93 20.22 13.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.366 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 19.6 p80 -69.82 -4.05 18.39 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.835 -175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.58 -27.52 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 169.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -134.03 80.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.82 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 127' ' ' HIS . 53.4 t-80 -131.15 109.75 10.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.354 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -96.41 158.84 15.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.295 -0.86 . . . . 0.0 109.379 178.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.23 116.36 3.99 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.287 1.991 . . . . 0.0 111.415 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.81 93.65 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.139 0.495 . . . . 0.0 111.039 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -130.51 103.3 6.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.881 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.701 ' HG2' ' H ' ' A' ' 6' ' ' GLU . 31.9 tt0 -173.46 -173.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.701 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 1.6 mp0 -58.69 98.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 42.5 t-80 -66.5 -52.94 32.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.033 -174.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 7' ' ' HIS . 29.5 Cg_exo -62.3 -60.84 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.763 1.642 . . . . 0.0 112.222 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -167.96 141.56 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.881 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -83.86 139.26 32.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.882 0.372 . . . . 0.0 110.231 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.691 HG22 ' H ' ' A' ' 13' ' ' ALA . 8.4 m -116.28 135.46 53.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.961 0.41 . . . . 0.0 111.554 -173.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -76.16 -10.86 59.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.48 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.691 ' H ' HG22 ' A' ' 11' ' ' THR . . . -71.69 109.81 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.319 -175.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp 62.76 79.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.483 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -89.4 -26.43 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.857 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -135.64 135.64 40.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.284 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.16 117.65 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.042 0.449 . . . . 0.0 112.165 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 17.7 m-20 -140.51 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.569 ' CA ' ' HA2' ' A' ' 73' ' ' GLY . . . -79.17 -11.75 84.74 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.233 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -134.36 22.37 3.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.104 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.798 ' HB3' ' HB2' ' A' ' 18' ' ' ASP . 21.1 t-80 -163.21 143.95 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.912 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' ILE . . . -167.95 143.23 3.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.707 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -136.53 117.04 13.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.772 0.32 . . . . 0.0 110.509 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -108.04 112.52 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 t30 63.53 -84.57 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.861 0.726 . . . . 0.0 110.193 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -123.48 -29.32 3.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.959 0.409 . . . . 0.0 110.585 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -76.97 125.16 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.517 -169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 63.7 mt -86.08 110.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.786 173.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 40' ' ' LEU . 92.5 mt -90.29 124.84 35.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.076 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 122' ' ' VAL . 36.9 mt-30 -117.95 15.28 14.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.837 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -121.4 179.58 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.207 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 121' ' ' ILE . 14.7 m -83.28 102.11 11.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.17 144.62 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 111.91 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 53.2 mt -98.95 109.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.445 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 118' ' ' LEU . 61.7 tp -105.3 113.45 27.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.19 0.519 . . . . 0.0 110.667 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 91.4 mtp -122.84 146.9 49.56 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 32.1 Cg_exo -61.11 71.64 0.08 OUTLIER 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.023 2.482 . . . . 0.0 113.887 -177.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 38.2 t70 168.66 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.201 1.0 . . . . 0.0 109.768 173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.86 156.81 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 35' ' ' LEU . 64.4 tp -128.18 122.51 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.999 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 40.5 t -114.18 86.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.846 0.355 . . . . 0.0 110.326 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 -7.15 51.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.431 0.634 . . . . 0.0 110.231 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -91.6 41.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.117 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -103.02 107.72 56.14 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.513 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.36 69.87 5.28 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.974 2.449 . . . . 0.0 113.631 -171.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.83 115.13 24.53 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.198 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.4 84.98 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.976 2.451 . . . . 0.0 112.186 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.58 ' HA ' HG21 ' A' ' 121' ' ' ILE . 69.6 p 47.88 -108.52 0.24 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.836 0.854 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.26 29.66 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 0.0 110.055 -176.437 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.13 -27.12 73.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.987 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -130.48 -71.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.264 0.554 . . . . 0.0 110.697 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' ' 49' ' ' LEU . 19.6 tp 54.24 41.32 32.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 -172.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.94 140.2 50.09 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.344 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -48.21 -29.26 12.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.365 2.71 . . . . 0.0 113.441 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 111.508 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.67 -25.12 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.305 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.36 -1.12 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.288 0.566 . . . . 0.0 110.314 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.443 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 63' ' ' LEU . . . -58.23 -41.9 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.87 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.23 -39.82 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.412 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.58 -33.72 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.66 75.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 96.9 mt -64.9 -35.73 82.1 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 t30 58.04 82.58 0.23 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.119 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.603 ' HG2' HG12 ' A' ' 68' ' ' ILE . 52.9 Cg_endo -95.05 169.94 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 123.156 2.571 . . . . 0.0 111.956 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.6 -39.29 27.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.134 0.492 . . . . 0.0 110.281 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 145.74 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.763 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 65' ' ' PRO . 48.2 mt -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -176.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 95' ' ' GLU . 96.5 mt -102.56 113.87 27.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.544 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.19 108.69 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.169 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.95 121.76 5.94 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.747 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 HD12 ' A' ' 121' ' ' ILE . 15.2 p -111.5 76.88 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.01 0.433 . . . . 0.0 111.275 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 56.89 -139.57 45.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.23 -177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.17 19.78 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 110.05 172.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -119.29 98.12 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.04 115.52 9.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 -175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -99.86 -168.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.175 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -131.8 148.69 70.94 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.018 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.82 133.36 33.56 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.765 2.31 . . . . 0.0 112.341 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -61.11 146.65 46.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 m -54.56 -37.65 65.7 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.867 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.33 -36.16 77.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.009 0.433 . . . . 0.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' A' ' 87' ' ' CYS . 38.7 t -77.88 -25.93 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 -175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 81' ' ' THR . 89.9 mt -58.92 -35.96 73.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.389 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.14 -37.75 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.215 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.446 ' HG ' HG12 ' A' ' 83' ' ' VAL . 60.7 m -69.25 -41.04 77.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.15 -46.62 70.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.815 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 p -63.24 -49.22 75.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.41 -23.02 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 50.81 5.76 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.822 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.55 129.01 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.03 106.82 2.21 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.717 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.58 97.89 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' HD23 ' A' ' 69' ' ' LEU . 34.0 mm-40 -89.45 102.29 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.744 -175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.31 111.13 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.876 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 67.0 mtt -140.44 -169.07 2.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.407 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.1 p -90.32 163.17 14.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -56.84 -36.15 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.19 62.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.093 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -66.56 -37.86 85.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.52 87.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.817 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -70.48 -48.81 53.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.121 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.8 m -65.34 -31.58 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.03 -42.8 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -59.6 -40.68 88.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.48 -48.51 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.47 -37.49 82.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.43 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.16 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.721 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -26.56 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.682 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.14 -15.43 60.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.88 76.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.524 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -83.59 133.12 34.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -69.13 97.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.013 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.8 139.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.153 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.483 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -104.76 112.77 26.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.575 173.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 35' ' ' LEU . 59.1 tp -88.02 95.3 10.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 89.04 7.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.6 ttm -99.86 111.57 23.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.418 -176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.596 HD12 HG22 ' A' ' 72' ' ' THR . 75.0 mt -90.58 111.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.943 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 30' ' ' GLN . 60.7 t -95.61 126.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.844 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.78 70.29 3.21 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.302 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -75.75 131.41 11.95 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -79.15 97.36 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.852 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.578 ' HG3' ' CD2' ' A' ' 127' ' ' HIS . 7.9 tp10 -73.91 143.93 45.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.563 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 126' ' ' GLU . 93.0 m-70 63.0 72.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.02 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -93.29 158.8 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.458 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -80.69 137.6 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -171.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -81.79 -14.69 56.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.3 0.571 . . . . 0.0 109.528 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -116.62 98.55 6.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.42 -175.702 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 67.1 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.2 Cg_exo -74.27 81.67 1.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.878 2.385 . . . . 0.0 111.393 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.99 104.32 14.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.767 -176.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -84.09 -32.84 24.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.044 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -80.94 84.75 6.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.6 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.242 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -114.17 137.15 22.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.44 -81.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.596 2.198 . . . . 0.0 112.537 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.26 109.34 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.291 . . . . 0.0 110.401 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -119.82 86.2 2.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.271 0.557 . . . . 0.0 109.725 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -148.87 115.37 5.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.508 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.31 108.65 5.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.409 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.746 ' HB3' ' H ' ' A' ' 25' ' ' ASN . . . -87.3 -98.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.912 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 tp 66.75 -14.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.351 0.66 . . . . 0.0 112.223 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 13' ' ' ALA . 35.7 mtm180 -79.82 -5.0 54.58 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.648 0.379 . . . . 0.0 111.802 -175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -129.42 102.84 6.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.88 150.96 30.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.134 0.492 . . . . 0.0 111.735 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 12.3 m-20 -106.77 -165.53 1.09 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 74' ' ' GLU . . . -91.44 -25.69 22.81 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 167.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 4.3 ptt180 -94.88 -11.75 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.544 . . . . 0.0 111.888 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 22.3 m80 -136.15 134.26 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.98 115.43 24.32 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 99.0 mttt -99.75 91.68 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.441 0.638 . . . . 0.0 111.087 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.77 94.29 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.501 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.746 ' H ' ' HB3' ' A' ' 13' ' ' ALA . 5.2 m-20 70.26 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.47 -17.75 5.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.09 0.471 . . . . 0.0 110.415 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -84.94 100.13 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.651 -175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 23' ' ' LYS . 58.4 mt -73.15 99.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.92 122.44 33.61 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.289 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.38 40.84 3.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.808 0.813 . . . . 0.0 109.955 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -125.08 -95.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.446 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 59.1 m -166.9 140.97 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -146.4 158.67 43.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.429 . . . . 0.0 111.332 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 55.8 mt -113.72 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 40' ' ' LEU . 63.1 tp -105.42 121.38 43.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.443 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 86.0 mtp -132.71 160.52 68.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.75 20.49 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.867 2.378 . . . . 0.0 112.588 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' MET . 16.0 t70 -119.83 -66.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.03 -175.81 4.45 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 35' ' ' LEU . 57.9 tp -130.03 119.42 23.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.8 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 52.8 t -89.99 108.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.67 -41.08 79.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -171.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -123.87 104.48 8.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.092 0.472 . . . . 0.0 111.669 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' SER . 14.3 t90 -104.41 114.21 64.38 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 44' ' ' TRP . 8.7 Cg_exo -72.31 71.09 3.07 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.102 2.534 . . . . 0.0 113.616 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.09 99.54 13.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.09 92.58 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.248 1.965 . . . . 0.0 111.728 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' HG21 ' A' ' 121' ' ' ILE . 94.4 p 56.59 -178.73 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.994 0.917 . . . . 0.0 111.251 -176.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -83.46 45.92 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 0.0 110.224 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.65 -17.11 5.68 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.906 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -129.69 28.26 5.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 0.0 110.219 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.9 100.65 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.085 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -105.43 153.3 39.84 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.363 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.81 -29.07 61.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.153 175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.05 86.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -77.49 -23.12 50.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.658 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.5 tpp -81.53 -18.72 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.754 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.64 -37.72 59.02 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 34' ' ' ILE . 34.3 t -65.18 -39.39 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.14 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.596 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.73 69.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.33 -15.74 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 79.49 0.27 Allowed Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 19.0 Cg_endo -92.43 157.51 3.04 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.094 2.53 . . . . 0.0 112.41 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.86 -28.12 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 109.766 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.2 140.7 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.269 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 92' ' ' ILE . 59.5 mt -119.36 128.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 0.0 111.017 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 109' ' ' LEU . 85.5 mt -104.14 131.38 51.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 96' ' ' ALA . 53.7 tp -115.52 113.59 23.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.637 0.255 . . . . 0.0 110.487 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.54 119.21 6.42 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -94.86 36.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.46 -141.44 31.0 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.827 -0.702 . . . . 0.0 114.137 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 10.2 tp10 -84.12 -12.76 54.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.019 -0.59 . . . . 0.0 110.639 -174.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -116.31 162.09 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.612 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.82 118.73 36.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.809 0.338 . . . . 0.0 110.266 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -117.84 154.86 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.98 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 67.2 t80 -111.81 129.73 23.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' PHE . 3.2 Cg_exo -74.0 165.34 32.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.756 2.304 . . . . 0.0 112.604 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.4 p -75.86 152.11 37.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.7 p -64.1 -29.07 70.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.69 -48.12 82.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -68.4 -41.16 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.594 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 94' ' ' LEU . 96.1 mt -58.37 -51.62 69.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.571 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.26 83.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.127 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.0 m -66.32 -45.1 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 84' ' ' LEU . 98.4 mt -62.91 -39.26 94.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.06 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.1 m -63.92 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.007 0.432 . . . . 0.0 110.444 178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -72.23 -18.57 61.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.36 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.03 20.35 28.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.011 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.49 HG21 HG13 ' A' ' 68' ' ' ILE . 42.0 mt -114.74 138.13 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.629 0.252 . . . . 0.0 110.575 -177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.0 139.28 15.18 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.54 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 84' ' ' LEU . 63.2 tp -118.44 105.94 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.202 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -97.48 107.51 20.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' LEU . . . -89.96 114.01 25.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 64.5 mtt -139.78 -177.25 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.746 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -87.5 168.31 13.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 172.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.505 HD21 ' CG1' ' A' ' 122' ' ' VAL . 6.6 m-20 -51.19 -51.48 53.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.11 99.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.975 0.417 . . . . 0.0 111.125 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 97' ' ' MET . . . -68.85 -37.36 79.06 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.292 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.9 76.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.71 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.033 177.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 m -81.08 -28.4 35.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.292 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.421 ' HD1' HD12 ' A' ' 69' ' ' LEU . 79.6 t80 -57.02 -37.99 72.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.13 -46.27 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.59 -43.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 69' ' ' LEU . 47.4 mt -64.6 -37.74 88.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.37 -40.81 85.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 m -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.319 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -69.98 -38.19 75.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.0 110.295 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.28 41.64 5.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.804 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HD3' HD22 ' A' ' 109' ' ' LEU . 12.5 ptm180 -108.8 151.88 25.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 115' ' ' ARG . 23.7 mtp180 -72.54 86.83 1.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.426 0.631 . . . . 0.0 110.526 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.4 p -96.61 134.96 32.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.676 ' HA ' ' HG2' ' A' ' 36' ' ' MET . . . -107.24 109.66 21.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.673 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 52.6 tp -89.17 99.11 12.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.173 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.33 91.62 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 tpt -97.22 106.72 19.1 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.578 -171.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 48' ' ' SER . 65.8 mt -98.19 129.39 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.942 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -131.53 118.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 -179.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.48 -22.99 76.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.092 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.84 -87.06 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.837 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.81 153.4 33.05 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -9.22 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.883 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -78.04 83.49 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.19 0.519 . . . . 0.0 111.082 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.06 1.21 47.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -158.18 154.11 26.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.496 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -77.29 149.75 35.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -85.98 127.34 34.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 0.0 110.632 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.257 177.265 . . . . . . . . 0 0 . 1 stop_ save_